[2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(3-amino-3-oxo-propyl)-benzyl-amino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[(3-amino-3-keto-propyl)-benzyl-amino]-2-keto-ethyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C19H27N3O6S/c1-29(26,27)22-11-7-16(8-12-22)19(25)28-14-18(24)21(10-9-17(20)23)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H2,20,23)