methyl 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H26N2O5S3 MolecularWeight: 482.63654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N2O5S3/c1-28-21(25)18-15-6-3-2-4-7-16(15)30-20(18)22-19(24)14-9-11-23(12-10-14)31(26,27)17-8-5-13-29-17/h5,8,13-14H,2-4,6-7,9-12H2,1H3,(H,22,24)