methyl 2-[4-[(2-pyrrol-1-ylthiophen-3-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(2-pyrrol-1-ylthiophen-3-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(2-pyrrol-1-yl-3-thienyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[[2-(1-pyrrolyl)-3-thiophenyl]methylamino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-pyrrol-1-ylthiophen-3-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(2-pyrrol-1-yl-3-thienyl)methylcarbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(SC=C3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(SC=C3)N4C=CC=C4

InChI

InChI=1S/C23H25N3O5S2/c1-31-23(28)19-6-2-3-7-20(19)33(29,30)26-13-8-17(9-14-26)21(27)24-16-18-10-15-32-22(18)25-11-4-5-12-25/h2-7,10-12,15,17H,8-9,13-14,16H2,1H3,(H,24,27)