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

Systemtic Name: 2-ethyl-2-[1-(4-methoxy-2,6-dimethyl-phenyl)sulfonylpiperidin-2-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid Openeye Name: 2-ethyl-2-[1-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-2-piperidyl]-4-(1-methyl-4-piperidyl)piperazine-1-carboxylic acid CAS Name: 2-ethyl-2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-piperidinyl]-4-(1-methyl-4-piperidinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-ethyl-2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid Traditional Name: 2-ethyl-2-[1-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-2-piperidyl]-4-(1-methyl-4-piperidyl)piperazine-1-carboxylic acid Formula: C27H44N4O5S MolecularWeight: 536.72706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(CCN1C(=O)O)C2CCN(CC2)C)C3CCCCN3S(=O)(=O)C4=C(C=C(C=C4C)OC)C

Isomeric SMILES

CCC1(CN(CCN1C(=O)O)C2CCN(CC2)C)C3CCCCN3S(=O)(=O)C4=C(C=C(C=C4C)OC)C

InChI

InChI=1S/C27H44N4O5S/c1-6-27(19-29(15-16-30(27)26(32)33)22-10-13-28(4)14-11-22)24-9-7-8-12-31(24)37(34,35)25-20(2)17-23(36-5)18-21(25)3/h17-18,22,24H,6-16,19H2,1-5H3,(H,32,33)