N-(6-methylpyridin-2-yl)-7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide

Systemtic Name: N-(6-methylpyridin-2-yl)-7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide Openeye Name: N-(6-methyl-2-pyridyl)-7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide CAS Name: N-(6-methyl-2-pyridinyl)-7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide IUPAC Name: N-(6-methylpyridin-2-yl)-7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide Traditional Name: 7-mesyl-N-(6-methyl-2-pyridyl)-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NS(=O)(=O)N2CCC3=C(CC2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=NC(=CC=C1)NS(=O)(=O)N2CCC3=C(CC2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O4S2/c1-13-4-3-5-17(18-13)19-26(23,24)20-10-8-14-6-7-16(25(2,21)22)12-15(14)9-11-20/h3-7,12H,8-11H2,1-2H3,(H,18,19)