[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H22ClN3O6S MolecularWeight: 431.89108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O6S/c1-10(2)14(15(22)20-17(19)24)27-16(23)12-9-11(5-6-13(12)18)28(25,26)21-7-3-4-8-21/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H3,19,20,22,24)