3-(4-methylphenyl)sulfonylpropyl 4-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 3-(4-methylphenyl)sulfonylpropyl 4-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]cyclohexa-2,5-diene-1-carboxylate Openeye Name: 3-(p-tolylsulfonyl)propyl 4-(p-tolylsulfonyl)-4-(p-tolylsulfonylcarbamoylamino)cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-(4-methylphenyl)sulfonyl-4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-1-cyclohexa-2,5-dienecarboxylic acid 3-(4-methylphenyl)sulfonylpropyl ester IUPAC Name: 3-(4-methylphenyl)sulfonylpropyl 4-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-tosyl-4-(tosylcarbamoylamino)cyclohexa-2,5-diene-1-carboxylic acid 3-tosylpropyl ester Formula: C32H34N2O9S3 MolecularWeight: 686.81536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCOC(=O)C2C=CC(C=C2)(NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCOC(=O)C2C=CC(C=C2)(NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C32H34N2O9S3/c1-23-5-11-27(12-6-23)44(37,38)22-4-21-43-30(35)26-17-19-32(20-18-26,45(39,40)28-13-7-24(2)8-14-28)33-31(36)34-46(41,42)29-15-9-25(3)10-16-29/h5-20,26H,4,21-22H2,1-3H3,(H2,33,34,36)