[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O6S/c1-31-21-10-6-19(7-11-21)14-15-25-23(27)18-32-24(28)20-8-12-22(13-9-20)33(29,30)26-16-4-2-3-5-17-26/h6-13H,2-5,14-18H2,1H3,(H,25,27)