2-[1-[(2R,4S,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-oxidanyl-piperidin-2-yl]cyclopropyl]-1-[4-(2-methyl-1-oxidanyl-propan-2-yl)piperazin-1-yl]-2-oxidanyl-ethanone

Systemtic Name: 2-[1-[(2R,4S,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-oxidanyl-piperidin-2-yl]cyclopropyl]-1-[4-(2-methyl-1-oxidanyl-propan-2-yl)piperazin-1-yl]-2-oxidanyl-ethanone Openeye Name: 2-[1-[(2R,4S,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-hydroxy-2-piperidyl]cyclopropyl]-2-hydroxy-1-[4-(2-hydroxy-1,1-dimethyl-ethyl)piperazin-1-yl]ethanone CAS Name: 2-[1-[(2R,4S,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-hydroxy-2-piperidinyl]cyclopropyl]-2-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-[(2R,4S,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-hydroxypiperidin-2-yl]cyclopropyl]-2-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-[1-[(2R,4S,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-hydroxy-2-piperidyl]cyclopropyl]-2-hydroxy-1-[4-(2-hydroxy-1,1-dimethyl-ethyl)piperazino]ethanone Formula: C27H40ClN3O6S MolecularWeight: 570.141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)N1CCN(CC1)C(=O)C(C2(CC2)C3CC(CC(N3S(=O)(=O)C4=CC=C(C=C4)Cl)C5CC5)O)O

Isomeric SMILES

CC(C)(CO)N1CCN(CC1)C(=O)C(C2(CC2)[C@H]3C[C@H](C[C@H](N3S(=O)(=O)C4=CC=C(C=C4)Cl)C5CC5)O)O

InChI

InChI=1S/C27H40ClN3O6S/c1-26(2,17-32)30-13-11-29(12-14-30)25(35)24(34)27(9-10-27)23-16-20(33)15-22(18-3-4-18)31(23)38(36,37)21-7-5-19(28)6-8-21/h5-8,18,20,22-24,32-34H,3-4,9-17H2,1-2H3/t20-,22-,23+,24?/m0/s1