[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H33N3O5S/c1-20-10-4-5-11-22(20)27-25(30)19-34-26(31)21-12-13-23(28-14-6-2-7-15-28)24(18-21)35(32,33)29-16-8-3-9-17-29/h4-5,10-13,18H,2-3,6-9,14-17,19H2,1H3,(H,27,30)