N-[4-(azepan-1-yl)phenyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-(2-cyanophenyl)sulfonyl-isonipecotamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H30N4O3S/c26-19-21-7-3-4-8-24(21)33(31,32)29-17-13-20(14-18-29)25(30)27-22-9-11-23(12-10-22)28-15-5-1-2-6-16-28/h3-4,7-12,20H,1-2,5-6,13-18H2,(H,27,30)