methyl 2-[[4-[(4-chlorophenyl)carbonylamino]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate

Systemtic Name: methyl 2-[[4-[(4-chlorophenyl)carbonylamino]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate Openeye Name: methyl 2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate CAS Name: 2-[[4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylamino]-5-phenylpent-4-ynoate Traditional Name: 2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid methyl ester Formula: C25H21ClN2O5S MolecularWeight: 496.96264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C(CC#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H21ClN2O5S/c1-33-25(30)23(9-5-8-18-6-3-2-4-7-18)28-34(31,32)22-16-14-21(15-17-22)27-24(29)19-10-12-20(26)13-11-19/h2-4,6-7,10-17,23,28H,9H2,1H3,(H,27,29)