[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: (4-phenylpiperazin-1-yl)-[(3S)-1-(p-tolylsulfonyl)-3-piperidyl]methanone CAS Name: [(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: (4-phenylpiperazino)-[(3S)-1-tosyl-3-piperidyl]methanone Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-19-9-11-22(12-10-19)30(28,29)26-13-5-6-20(18-26)23(27)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-4,7-12,20H,5-6,13-18H2,1H3/t20-/m0/s1