[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H29N3O6S/c1-14(2)18(19(25)22-20(21)26)29-17(24)11-8-15-6-9-16(10-7-15)30(27,28)23-12-4-3-5-13-23/h6-7,9-10,14,18H,3-5,8,11-13H2,1-2H3,(H3,21,22,25,26)