[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C19H26ClN3O6S MolecularWeight: 459.94424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H26ClN3O6S/c1-12(2)16(17(24)22-19(21)26)29-18(25)13-7-8-14(20)15(11-13)30(27,28)23-9-5-3-4-6-10-23/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H3,21,22,24,26)