7-[[3-[(6-chloranyl-1-benzothiophen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 7-[[3-[(6-chloranyl-1-benzothiophen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[[3-[(6-chlorobenzothiophen-2-yl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[[3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[[3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[[3-[(6-chlorobenzothiophen-2-yl)sulfonylamino]-2-keto-pyrrolidino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C23H22ClN3O5S2 MolecularWeight: 520.02088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(CCN(C5)C(=O)O)C=C4

Isomeric SMILES

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(CCN(C5)C(=O)O)C=C4

InChI

InChI=1S/C23H22ClN3O5S2/c24-18-4-3-16-10-21(33-20(16)11-18)34(31,32)25-19-6-8-26(22(19)28)12-14-1-2-15-5-7-27(23(29)30)13-17(15)9-14/h1-4,9-11,19,25H,5-8,12-13H2,(H,29,30)