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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

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