N-[1-(azepan-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: N-[1-(azepan-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-[1-(azepane-1-carbonyl)-3-methyl-butyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[1-(1-azepanyl)-4-methyl-1-oxopentan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: N-[1-(azepane-1-carbonyl)-3-methyl-butyl]-2-keto-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

Isomeric SMILES

CC(C)CC(C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

InChI

InChI=1S/C22H33N3O4S/c1-16(2)14-20(22(27)25-12-5-3-4-6-13-25)24-30(28,29)18-10-11-19-17(15-18)8-7-9-21(26)23-19/h10-11,15-16,20,24H,3-9,12-14H2,1-2H3,(H,23,26)