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

Systemtic Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-3-nitro-benzamide Formula: C23H20ClN3O5S MolecularWeight: 485.94

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl)C=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl)C=C2

InChI

InChI=1S/C23H20ClN3O5S/c1-15-21(3-2-4-22(15)27(29)30)23(28)25-19-8-5-16-11-12-26(14-17(16)13-19)33(31,32)20-9-6-18(24)7-10-20/h2-10,13H,11-12,14H2,1H3,(H,25,28)