3-[aminocarbonyl(phenyl)amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 3-[aminocarbonyl(phenyl)amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-(N-carbamoylanilino)propyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-(N-carbamoylanilino)propyl ester IUPAC Name: 3-(N-carbamoylanilino)propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 3-(N-carbamoylanilino)propyl ester Formula: C25H26N4O6S MolecularWeight: 510.56214

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)OCCCN(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O6S/c1-18-8-14-22(15-9-18)36(33,34)28-25(32)27-20-12-10-19(11-13-20)23(30)35-17-5-16-29(24(26)31)21-6-3-2-4-7-21/h2-4,6-15H,5,16-17H2,1H3,(H2,26,31)(H2,27,28,32)