2-oxidanylidene-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: 2-oxidanylidene-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: 2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: 2-oxo-N-[3-(1-pyrrolidinylmethyl)phenyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: 2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: 2-keto-N-[3-(pyrrolidinomethyl)phenyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

InChI

InChI=1S/C21H25N3O3S/c25-21-8-4-6-17-14-19(9-10-20(17)22-21)28(26,27)23-18-7-3-5-16(13-18)15-24-11-1-2-12-24/h3,5,7,9-10,13-14,23H,1-2,4,6,8,11-12,15H2,(H,22,25)