methyl 5-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[1-(2-naphthylsulfonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 5-[[[1-(2-naphthalenylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-[[1-(2-naphthylsulfonyl)isonipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22N2O5S2/c1-29-22(26)19-8-9-20(30-19)23-21(25)16-10-12-24(13-11-16)31(27,28)18-7-6-15-4-2-3-5-17(15)14-18/h2-9,14,16H,10-13H2,1H3,(H,23,25)