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

Systemtic Name: butyl 4-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate Openeye Name: butyl 4-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate Traditional Name: 4-[[1-(2-thienylsulfonyl)nipecotoyl]amino]benzoic acid butyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O5S2/c1-2-3-13-28-21(25)16-8-10-18(11-9-16)22-20(24)17-6-4-12-23(15-17)30(26,27)19-7-5-14-29-19/h5,7-11,14,17H,2-4,6,12-13,15H2,1H3,(H,22,24)