dimethyl 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazino]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C26H33N3O7S MolecularWeight: 531.62112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H33N3O7S/c1-26(2,3)19-7-9-20(10-8-19)37(33,34)29-14-12-28(13-15-29)17-23(30)27-22-16-18(24(31)35-4)6-11-21(22)25(32)36-5/h6-11,16H,12-15,17H2,1-5H3,(H,27,30)