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

Systemtic Name: N-[1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-[1-(azepane-1-carbonyl)-2-methyl-propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[1-(1-azepanyl)-3-methyl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: N-[1-(azepane-1-carbonyl)-2-methyl-propyl]-2-keto-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4S/c1-15(2)20(21(26)24-12-5-3-4-6-13-24)23-29(27,28)17-10-11-18-16(14-17)8-7-9-19(25)22-18/h10-11,14-15,20,23H,3-9,12-13H2,1-2H3,(H,22,25)