5-chloranyl-N-[(3S)-2-oxidanylidene-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[(3S)-2-oxidanylidene-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-N-[(3S)-2-oxo-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)pyrrolidin-3-yl]benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-[(3S)-2-oxo-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)-3-pyrrolidinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-N-[(3S)-2-oxo-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[(3S)-2-keto-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)pyrrolidin-3-yl]benzothiophene-2-sulfonamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CNC1)C=C(C=C2)N3CCC(C3=O)NS(=O)(=O)C4=CC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C1CC2=C(CNC1)C=C(C=C2)N3CC[C@@H](C3=O)NS(=O)(=O)C4=CC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C22H22ClN3O3S2/c23-17-4-6-20-15(10-17)12-21(30-20)31(28,29)25-19-7-9-26(22(19)27)18-5-3-14-2-1-8-24-13-16(14)11-18/h3-6,10-12,19,24-25H,1-2,7-9,13H2/t19-/m0/s1