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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butane-1-sulfonamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butane-1-sulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1-butanesulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butane-1-sulfonamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)butane-1-sulfonamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C=C1

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C=C1

InChI

InChI=1S/C20H26N2O4S2/c1-3-4-13-27(23,24)21-19-8-7-17-11-12-22(15-18(17)14-19)28(25,26)20-9-5-16(2)6-10-20/h5-10,14,21H,3-4,11-13,15H2,1-2H3