4-[(4-methoxyphenyl)-(sulfanylcarbamoyl)amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OCCCCN(C3=CC=C(C=C3)OC)C(=O)NS

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OCCCCN(C3=CC=C(C=C3)OC)C(=O)NS

InChI

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