[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(5-morpholinosulfonyl-2-thienyl)acetate CAS Name: 2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-morpholinosulfonyl-2-thienyl)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H26N2O6S2 MolecularWeight: 430.53884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H26N2O6S2/c21-16(19-7-3-1-2-4-8-19)14-26-17(22)13-15-5-6-18(27-15)28(23,24)20-9-11-25-12-10-20/h5-6H,1-4,7-14H2