[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5S/c1-20-7-9-21(10-8-20)18-27-25(30)19-34-26(31)23-17-22(11-12-24(23)28-13-5-6-14-28)35(32,33)29-15-3-2-4-16-29/h7-12,17H,2-6,13-16,18-19H2,1H3,(H,27,30)