N-[3-(azepan-1-yl)propyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-phenyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H35N3O5S/c1-32-23-14-13-22(19-24(23)33-2)34(30,31)28(21-11-6-5-7-12-21)20-25(29)26-15-10-18-27-16-8-3-4-9-17-27/h5-7,11-14,19H,3-4,8-10,15-18,20H2,1-2H3,(H,26,29)