[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H29N3O8S MolecularWeight: 531.57806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H29N3O8S/c1-16(24(30)27-20-5-3-19(4-6-20)26-17(2)29)36-25(31)18-9-11-28(12-10-18)37(32,33)21-7-8-22-23(15-21)35-14-13-34-22/h3-8,15-16,18H,9-14H2,1-2H3,(H,26,29)(H,27,30)