ethyl 4-[[[3-[(4-chlorophenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonyl-[(2-methylphenyl)methyl]amino]methyl]benzoate

Systemtic Name: ethyl 4-[[[3-[(4-chlorophenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonyl-[(2-methylphenyl)methyl]amino]methyl]benzoate Openeye Name: ethyl 4-[[[3-[(4-chlorophenyl)carbamoyl]-4-fluoro-phenyl]sulfonyl-(o-tolylmethyl)amino]methyl]benzoate CAS Name: 4-[[[3-[(4-chloroanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-[(2-methylphenyl)methyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[3-[(4-chlorophenyl)carbamoyl]-4-fluorophenyl]sulfonyl-[(2-methylphenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[[3-[(4-chlorophenyl)carbamoyl]-4-fluoro-phenyl]sulfonyl-(2-methylbenzyl)amino]methyl]benzoic acid ethyl ester Formula: C31H28ClFN2O5S MolecularWeight: 595.080823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C31H28ClFN2O5S/c1-3-40-31(37)23-10-8-22(9-11-23)19-35(20-24-7-5-4-6-21(24)2)41(38,39)27-16-17-29(33)28(18-27)30(36)34-26-14-12-25(32)13-15-26/h4-18H,3,19-20H2,1-2H3,(H,34,36)