methyl 2-[4-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[cyclopropyl(2-thienylmethyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[cyclopropyl(thiophen-2-ylmethyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[cyclopropyl(2-thenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CS3)C4CC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CS3)C4CC4

InChI

InChI=1S/C22H26N2O5S2/c1-29-22(26)19-6-2-3-7-20(19)31(27,28)23-12-10-16(11-13-23)21(25)24(17-8-9-17)15-18-5-4-14-30-18/h2-7,14,16-17H,8-13,15H2,1H3