methyl 4-[[5-chloranyl-2-oxidanyl-4-[2-(4-piperidin-1-ylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-chloranyl-2-oxidanyl-4-[2-(4-piperidin-1-ylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-chloro-2-hydroxy-4-[2-[4-(1-piperidyl)phenyl]sulfonylbutanoylamino]phenyl]carbamoyl]benzoate CAS Name: 4-[[5-chloro-2-hydroxy-4-[[1-oxo-2-[4-(1-piperidinyl)phenyl]sulfonylbutyl]amino]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-2-hydroxy-4-[2-(4-piperidin-1-ylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate Traditional Name: 4-[[5-chloro-2-hydroxy-4-[2-(4-piperidinophenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoic acid methyl ester Formula: C30H32ClN3O7S MolecularWeight: 614.10898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)OC)O)S(=O)(=O)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)OC)O)S(=O)(=O)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C30H32ClN3O7S/c1-3-27(42(39,40)22-13-11-21(12-14-22)34-15-5-4-6-16-34)29(37)32-24-18-26(35)25(17-23(24)31)33-28(36)19-7-9-20(10-8-19)30(38)41-2/h7-14,17-18,27,35H,3-6,15-16H2,1-2H3,(H,32,37)(H,33,36)