[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN(CC(=O)OCC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN2O5S/c1-19(26(23,24)15-8-6-14(18)7-9-15)12-17(22)25-13-16(21)20-10-4-2-3-5-11-20/h6-9H,2-5,10-13H2,1H3