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

Systemtic Name: N-methyl-2-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-methyl-2-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: 2-keto-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

InChI

InChI=1S/C21H22N4O3S/c1-24(14-16-13-22-25(15-16)18-7-3-2-4-8-18)29(27,28)19-10-11-20-17(12-19)6-5-9-21(26)23-20/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3,(H,23,26)