methyl 2-[4-[(2-piperidin-1-ylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(2-piperidin-1-ylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[2-(1-piperidyl)phenyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[2-(1-piperidinyl)anilino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-piperidin-1-ylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(2-piperidinophenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C25H31N3O5S/c1-33-25(30)20-9-3-6-12-23(20)34(31,32)28-17-13-19(14-18-28)24(29)26-21-10-4-5-11-22(21)27-15-7-2-8-16-27/h3-6,9-12,19H,2,7-8,13-18H2,1H3,(H,26,29)