[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H31N3O5S/c1-19(24(29)26-21-10-12-22(13-11-21)27-14-3-2-4-15-27)33-25(30)20-8-7-9-23(18-20)34(31,32)28-16-5-6-17-28/h7-13,18-19H,2-6,14-17H2,1H3,(H,26,29)