[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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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)N2CCC3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O6S/c1-13(2)18(19(25)23-21(22)27)30-20(26)15-7-5-8-16(12-15)31(28,29)24-11-10-14-6-3-4-9-17(14)24/h3-9,12-13,18H,10-11H2,1-2H3,(H3,22,23,25,27)