N-[4-(azepan-1-yl)phenyl]-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-cyanophenyl)sulfonylpiperazino]acetamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H31N5O3S/c26-19-21-7-3-4-8-24(21)34(32,33)30-17-15-28(16-18-30)20-25(31)27-22-9-11-23(12-10-22)29-13-5-1-2-6-14-29/h3-4,7-12H,1-2,5-6,13-18,20H2,(H,27,31)