ethyl 2-[(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(2-thienylsulfonyl)piperidine-2-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(2-thienylsulfonyl)pipecoloyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O5S3 MolecularWeight: 478.60478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N2O5S3/c1-2-28-21(25)18-14-8-3-4-10-16(14)30-20(18)22-19(24)15-9-5-6-12-23(15)31(26,27)17-11-7-13-29-17/h3-4,7-8,10-11,13,15H,2,5-6,9,12H2,1H3,(H,22,24)