3-(azepan-1-ylsulfonyl)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-ethylanilino)-2-keto-ethyl]-N-methyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O4S/c1-3-19-11-6-7-14-22(19)25-23(28)18-26(2)24(29)20-12-10-13-21(17-20)32(30,31)27-15-8-4-5-9-16-27/h6-7,10-14,17H,3-5,8-9,15-16,18H2,1-2H3,(H,25,28)