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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(4-cyanophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(4-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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O3S/c26-19-21-5-11-24(12-6-21)34(32,33)30-17-15-28(16-18-30)20-25(31)27-22-7-9-23(10-8-22)29-13-3-1-2-4-14-29/h5-12H,1-4,13-18,20H2,(H,27,31)