butyl 4-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate Openeye Name: butyl 4-[[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-piperidinosulfonylthiophene-2-carbonyl)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)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O5S2/c1-2-3-14-28-21(25)16-7-9-17(10-8-16)22-20(24)19-18(11-15-29-19)30(26,27)23-12-5-4-6-13-23/h7-11,15H,2-6,12-14H2,1H3,(H,22,24)