2-(2,5-dimethoxyphenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(2,5-dimethoxyphenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(2,5-dimethoxyphenyl)sulfonyl-5-(1-piperazinyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(2,5-dimethoxyphenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2,5-dimethoxyphenyl)sulfonyl-5-piperazino-3,4-dihydro-1H-isoquinoline Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC3=C(C2)C=CC=C3N4CCNCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC3=C(C2)C=CC=C3N4CCNCC4

InChI

InChI=1S/C21H27N3O4S/c1-27-17-6-7-20(28-2)21(14-17)29(25,26)24-11-8-18-16(15-24)4-3-5-19(18)23-12-9-22-10-13-23/h3-7,14,22H,8-13,15H2,1-2H3