[2-[bis(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[bis(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-[bis(2-methoxyethyl)amino]-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-[bis(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O7S/c1-28-15-13-22(14-16-29-2)20(24)17-30-21(25)18-7-9-19(10-8-18)31(26,27)23-11-5-3-4-6-12-23/h7-10H,3-6,11-17H2,1-2H3