N-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-4-phenyl-piperazine-1-carboxamide

Systemtic Name: N-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-4-phenyl-piperazine-1-carboxamide Openeye Name: 4-phenyl-N-[(3S)-1-(p-tolylsulfonyl)-3-piperidyl]piperazine-1-carboxamide CAS Name: N-[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-4-phenyl-1-piperazinecarboxamide IUPAC Name: N-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-4-phenylpiperazine-1-carboxamide Traditional Name: 4-phenyl-N-[(3S)-1-tosyl-3-piperidyl]piperazine-1-carboxamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3S/c1-19-9-11-22(12-10-19)31(29,30)27-13-5-6-20(18-27)24-23(28)26-16-14-25(15-17-26)21-7-3-2-4-8-21/h2-4,7-12,20H,5-6,13-18H2,1H3,(H,24,28)/t20-/m0/s1