2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(4-methylpiperidino)sulfonylphenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N2O4S2/c1-17-10-13-22(14-11-17)28(24,25)20-6-8-21(9-7-20)29(26,27)23-15-12-18-4-2-3-5-19(18)16-23/h2-9,17H,10-16H2,1H3