N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-2-keto-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)NCCC(=O)N3CCC4=CC=CC=C4C3)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)NCCC(=O)N3CCC4=CC=CC=C4C3)NC(=O)C1

InChI

InChI=1S/C22H25N3O4S/c26-21-7-3-6-17-14-19(8-9-20(17)24-21)30(28,29)23-12-10-22(27)25-13-11-16-4-1-2-5-18(16)15-25/h1-2,4-5,8-9,14,23H,3,6-7,10-13,15H2,(H,24,26)