4-[[(4-methoxyphenyl)-sulfanyl-carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 4-[[(4-methoxyphenyl)-sulfanyl-carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[(4-methoxyphenyl)-sulfanyl-carbamoyl]amino]butyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[(N-mercapto-4-methoxyanilino)-oxomethyl]amino]butyl ester IUPAC Name: 4-[[(4-methoxyphenyl)-sulfanylcarbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 4-[[mercapto-(4-methoxyphenyl)carbamoyl]amino]butyl ester Formula: C27H30N4O7S2 MolecularWeight: 586.6797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)OCCCCNC(=O)N(C3=CC=C(C=C3)OC)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)OCCCCNC(=O)N(C3=CC=C(C=C3)OC)S

InChI

InChI=1S/C27H30N4O7S2/c1-19-8-14-24(15-9-19)40(35,36)30-26(33)29-21-7-5-6-20(18-21)25(32)38-17-4-3-16-28-27(34)31(39)22-10-12-23(37-2)13-11-22/h5-15,18,39H,3-4,16-17H2,1-2H3,(H,28,34)(H2,29,30,33)