methyl 4-pyrrolidin-1-yl-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-pyrrolidin-1-yl-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-pyrrolidin-1-yl-3-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-pyrrolidin-1-yl-3-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 4-pyrrolidino-3-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O5S2/c1-30-22(27)17-6-7-19(24-10-2-3-11-24)18(15-17)23-21(26)16-8-12-25(13-9-16)32(28,29)20-5-4-14-31-20/h4-7,14-16H,2-3,8-13H2,1H3,(H,23,26)