3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-(2-oxidanylidene-2-phenylazanyl-ethyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-(2-oxidanylidene-2-phenylazanyl-ethyl)propanamide Openeye Name: N-(2-anilino-2-oxo-ethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-propanamide CAS Name: N-(2-anilino-2-oxoethyl)-3-[4-(1-azepanylsulfonyl)phenyl]-N-methylpropanamide IUPAC Name: N-(2-anilino-2-oxoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methylpropanamide Traditional Name: N-(2-anilino-2-keto-ethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-propionamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O4S/c1-26(19-23(28)25-21-9-5-4-6-10-21)24(29)16-13-20-11-14-22(15-12-20)32(30,31)27-17-7-2-3-8-18-27/h4-6,9-12,14-15H,2-3,7-8,13,16-19H2,1H3,(H,25,28)