[2-[bis(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-[bis(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-[bis(2-methoxyethyl)amino]-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [2-[bis(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C22H34N2O8S MolecularWeight: 486.57896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O8S/c1-29-14-12-23(13-15-30-2)21(25)17-32-22(26)19-16-18(8-9-20(19)31-3)33(27,28)24-10-6-4-5-7-11-24/h8-9,16H,4-7,10-15,17H2,1-3H3