2-[1-(4-methoxy-2,6-dimethyl-phenyl)sulfonylpiperidin-2-yl]-2-methyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid

Systemtic Name: 2-[1-(4-methoxy-2,6-dimethyl-phenyl)sulfonylpiperidin-2-yl]-2-methyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid Openeye Name: 2-[1-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-2-piperidyl]-2-methyl-4-(1-methyl-4-piperidyl)piperazine-1-carboxylic acid CAS Name: 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-piperidinyl]-2-methyl-4-(1-methyl-4-piperidinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]-2-methyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid Traditional Name: 2-[1-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-2-piperidyl]-2-methyl-4-(1-methyl-4-piperidyl)piperazine-1-carboxylic acid Formula: C26H42N4O5S MolecularWeight: 522.70048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCCCC2C3(CN(CCN3C(=O)O)C4CCN(CC4)C)C)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCCCC2C3(CN(CCN3C(=O)O)C4CCN(CC4)C)C)C)OC

InChI

InChI=1S/C26H42N4O5S/c1-19-16-22(35-5)17-20(2)24(19)36(33,34)30-11-7-6-8-23(30)26(3)18-28(14-15-29(26)25(31)32)21-9-12-27(4)13-10-21/h16-17,21,23H,6-15,18H2,1-5H3,(H,31,32)