[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[[(E)-styryl]sulfonylamino]acetate CAS Name: 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate Traditional Name: 2-[[(E)-styryl]sulfonylamino]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CNS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H24N2O5S/c21-17(20-11-6-1-2-7-12-20)15-25-18(22)14-19-26(23,24)13-10-16-8-4-3-5-9-16/h3-5,8-10,13,19H,1-2,6-7,11-12,14-15H2/b13-10+