ethyl 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)-2-(phenylsulfonylamino)ethanoate

Systemtic Name: ethyl 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)-2-(phenylsulfonylamino)ethanoate Openeye Name: ethyl 2-(benzenesulfonamido)-2-(1-methyl-4-nitrososulfanyl-4-piperidyl)acetate CAS Name: 2-(benzenesulfonamido)-2-[1-methyl-4-(nitrosothio)-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonamido)-2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)acetate Traditional Name: 2-(benzenesulfonamido)-2-[1-methyl-4-(nitrosothio)-4-piperidyl]acetic acid ethyl ester Formula: C16H23N3O5S2 MolecularWeight: 401.50092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(CCN(CC1)C)SN=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C1(CCN(CC1)C)SN=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H23N3O5S2/c1-3-24-15(20)14(16(25-18-21)9-11-19(2)12-10-16)17-26(22,23)13-7-5-4-6-8-13/h4-8,14,17H,3,9-12H2,1-2H3