4-(azepan-1-ylsulfonyl)-N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2,5-dimethylanilino)-2-keto-ethyl]-N-methyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-18-8-9-19(2)22(16-18)25-23(28)17-26(3)24(29)20-10-12-21(13-11-20)32(30,31)27-14-6-4-5-7-15-27/h8-13,16H,4-7,14-15,17H2,1-3H3,(H,25,28)