butyl 2-[[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 2-[[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]carbonylamino]benzoate Openeye Name: butyl 2-[[4-[4-(3-thienyl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[4-[4-(3-thiophenyl)phenyl]sulfonyl-1-piperidinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[4-(4-thiophen-3-ylphenyl)sulfonylpiperidine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[4-(3-thienyl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoic acid butyl ester Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CSC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CSC=C4

InChI

InChI=1S/C27H30N2O5S2/c1-2-3-17-34-26(30)24-6-4-5-7-25(24)28-27(31)29-15-12-23(13-16-29)36(32,33)22-10-8-20(9-11-22)21-14-18-35-19-21/h4-11,14,18-19,23H,2-3,12-13,15-17H2,1H3,(H,28,31)