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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

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