N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide Openeye Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide CAS Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzamide IUPAC Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzamide Traditional Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide Formula: C22H18ClN3O5S MolecularWeight: 471.91342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O5S/c23-18-5-8-21(9-6-18)32(30,31)25-11-10-15-4-7-19(12-17(15)14-25)24-22(27)16-2-1-3-20(13-16)26(28)29/h1-9,12-13H,10-11,14H2,(H,24,27)