methyl 3-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(1-besylnipecotoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

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