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

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C24H38N2O6S MolecularWeight: 482.63332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C24H38N2O6S/c1-18(2)15-25(16-19(3)4)23(27)17-32-24(28)20-10-11-21(31-5)22(14-20)33(29,30)26-12-8-6-7-9-13-26/h10-11,14,18-19H,6-9,12-13,15-17H2,1-5H3