4-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-N-(1-phenylethyl)butanamide

Systemtic Name: 4-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-N-(1-phenylethyl)butanamide Openeye Name: 4-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxo-N-(1-phenylethyl)butanamide CAS Name: 4-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxo-N-(1-phenylethyl)butanamide IUPAC Name: 4-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxo-N-(1-phenylethyl)butanamide Traditional Name: 4-keto-4-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-N-(1-phenylethyl)butyramide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H33N3O4S/c1-20(22-7-4-3-5-8-22)26-24(29)13-14-25(30)28-16-6-15-27(17-18-28)19-21-9-11-23(12-10-21)33(2,31)32/h3-5,7-12,20H,6,13-19H2,1-2H3,(H,26,29)