N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(4-benzyloxyphenyl)piperazin-1-yl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[4-(4-phenylmethoxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(4-benzoxyphenyl)piperazino]acetamide Formula: C31H38N4O4S MolecularWeight: 562.72282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H38N4O4S/c36-31(32-27-10-16-30(17-11-27)40(37,38)35-18-6-1-2-7-19-35)24-33-20-22-34(23-21-33)28-12-14-29(15-13-28)39-25-26-8-4-3-5-9-26/h3-5,8-17H,1-2,6-7,18-25H2,(H,32,36)