[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-[[[(2-methylcyclohexyl)amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-[(2-methylcyclohexyl)carbamoylamino]ethyl] ester Formula: C23H33N3O6S MolecularWeight: 479.58962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H33N3O6S/c1-17-8-4-5-9-20(17)24-23(29)25-21(27)16-32-22(28)18-10-12-19(13-11-18)33(30,31)26-14-6-2-3-7-15-26/h10-13,17,20H,2-9,14-16H2,1H3,(H2,24,25,27,29)