[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C24H29N3O6S/c1-17-10-11-21(18(2)14-17)25-24(30)26-22(28)16-33-23(29)19-8-7-9-20(15-19)34(31,32)27-12-5-3-4-6-13-27/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H2,25,26,28,30)