2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(3,4-dimethylphenyl)acetamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

InChI

InChI=1S/C23H31N3O4S/c1-17-8-9-19(14-18(17)2)25-23(27)16-24-21-15-20(10-11-22(21)30-3)31(28,29)26-12-6-4-5-7-13-26/h8-11,14-15,24H,4-7,12-13,16H2,1-3H3,(H,25,27)