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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

InChI

InChI=1S/C21H31N3O4S/c1-14(2)20(21(26)24-11-9-15(3)10-12-24)23-29(27,28)17-7-8-18-16(13-17)5-4-6-19(25)22-18/h7-8,13-15,20,23H,4-6,9-12H2,1-3H3,(H,22,25)