[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C23H34N4O6S MolecularWeight: 494.60426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H34N4O6S/c1-16(2)20(21(28)25-23(24)30)33-22(29)17-9-10-18(26-11-5-3-6-12-26)19(15-17)34(31,32)27-13-7-4-8-14-27/h9-10,15-16,20H,3-8,11-14H2,1-2H3,(H3,24,25,28,30)