[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H29N3O6S/c1-15(2)13-21-20(26)22-18(24)14-29-19(25)16-8-7-9-17(12-16)30(27,28)23-10-5-3-4-6-11-23/h7-9,12,15H,3-6,10-11,13-14H2,1-2H3,(H2,21,22,24,26)