[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C20H29N3O6S/c1-12(2)17(18(24)22-20(21)26)29-19(25)16-11-15(9-8-13(16)3)30(27,28)23-10-6-5-7-14(23)4/h8-9,11-12,14,17H,5-7,10H2,1-4H3,(H3,21,22,24,26)