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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-(4-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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3S/c26-19-20-5-11-24(12-6-20)33(31,32)29-17-13-21(14-18-29)25(30)27-22-7-9-23(10-8-22)28-15-3-1-2-4-16-28/h5-12,21H,1-4,13-18H2,(H,27,30)