[2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-[(4-ethoxy-4-keto-butyl)amino]-2-keto-ethyl] ester Formula: C22H32N2O8S MolecularWeight: 484.56308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C22H32N2O8S/c1-3-31-21(26)9-8-12-23-20(25)16-32-22(27)17-10-11-18(30-2)19(15-17)33(28,29)24-13-6-4-5-7-14-24/h10-11,15H,3-9,12-14,16H2,1-2H3,(H,23,25)