2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: 2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: 2-oxo-N-(3-pyridylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: 2-oxo-N-(3-pyridinylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: 2-oxo-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: 2-keto-N-(3-pyridylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)NCC3=CN=CC=C3)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)NCC3=CN=CC=C3)NC(=O)C1

InChI

InChI=1S/C16H17N3O3S/c20-16-5-1-4-13-9-14(6-7-15(13)19-16)23(21,22)18-11-12-3-2-8-17-10-12/h2-3,6-10,18H,1,4-5,11H2,(H,19,20)