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

Systemtic Name: butyl 2-[[4-(4-thiophen-2-ylphenyl)sulfonylpiperidin-1-yl]carbonylamino]benzoate Openeye Name: butyl 2-[[4-[4-(2-thienyl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[4-(4-thiophen-2-ylphenyl)sulfonyl-1-piperidinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[4-(4-thiophen-2-ylphenyl)sulfonylpiperidine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[4-(2-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=CC=CS4

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CS4

InChI

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