[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

InChI

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