[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S/c1-12(2)15(16(22)20-18(19)24)27-17(23)13-7-6-8-14(11-13)28(25,26)21-9-4-3-5-10-21/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H3,19,20,22,24)