cyclopropyl-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]methanone Openeye Name: [4-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-cyclopropyl-methanone CAS Name: cyclopropyl-[4-[2-methoxy-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[5-(4-benzylpiperidino)sulfonyl-2-methoxy-phenyl]piperazino]-cyclopropyl-methanone Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C27H35N3O4S/c1-34-26-10-9-24(20-25(26)28-15-17-29(18-16-28)27(31)23-7-8-23)35(32,33)30-13-11-22(12-14-30)19-21-5-3-2-4-6-21/h2-6,9-10,20,22-23H,7-8,11-19H2,1H3