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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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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)N2CCCC2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H23N3O6S/c1-11(2)14(15(21)19-17(18)23)26-16(22)12-6-5-7-13(10-12)27(24,25)20-8-3-4-9-20/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H3,18,19,21,23)