N-[3-(azepan-1-yl)propyl]-4-[[phenyl(phenylsulfonyl)amino]methyl]benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[[phenyl(phenylsulfonyl)amino]methyl]benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-[[N-(benzenesulfonyl)anilino]methyl]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-[[N-(benzenesulfonyl)anilino]methyl]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-[[N-(benzenesulfonyl)anilino]methyl]benzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-[(N-besylanilino)methyl]benzamide Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3S/c33-29(30-20-11-23-31-21-9-1-2-10-22-31)26-18-16-25(17-19-26)24-32(27-12-5-3-6-13-27)36(34,35)28-14-7-4-8-15-28/h3-8,12-19H,1-2,9-11,20-24H2,(H,30,33)