(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[4-(1-azepanylsulfonyl)phenyl]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-tosyl-nipecotamide Formula: C25H33N3O5S2 MolecularWeight: 519.67662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O5S2/c1-20-8-12-23(13-9-20)35(32,33)28-18-6-7-21(19-28)25(29)26-22-10-14-24(15-11-22)34(30,31)27-16-4-2-3-5-17-27/h8-15,21H,2-7,16-19H2,1H3,(H,26,29)/t21-/m0/s1