N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-sulfonamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-sulfonamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-sulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-pyridinesulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-sulfonamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-sulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NS(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NS(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H21N3O4S2/c1-16-4-8-20(9-5-16)30(27,28)24-12-10-17-6-7-19(13-18(17)15-24)23-29(25,26)21-3-2-11-22-14-21/h2-9,11,13-14,23H,10,12,15H2,1H3