[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C20H29N3O7S MolecularWeight: 455.52516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C20H29N3O7S/c1-4-29-15-5-7-16(8-6-15)31(27,28)23-11-9-14(10-12-23)19(25)30-17(13(2)3)18(24)22-20(21)26/h5-8,13-14,17H,4,9-12H2,1-3H3,(H3,21,22,24,26)