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

Systemtic Name: methyl 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)-2-(phenylsulfonylamino)ethanoate Openeye Name: methyl 2-(benzenesulfonamido)-2-(1-methyl-4-nitrososulfanyl-4-piperidyl)acetate CAS Name: 2-(benzenesulfonamido)-2-[1-methyl-4-(nitrosothio)-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonamido)-2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)acetate Traditional Name: 2-(benzenesulfonamido)-2-[1-methyl-4-(nitrosothio)-4-piperidyl]acetic acid methyl ester Formula: C15H21N3O5S2 MolecularWeight: 387.47434

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C(C(=O)OC)NS(=O)(=O)C2=CC=CC=C2)SN=O

Isomeric SMILES

CN1CCC(CC1)(C(C(=O)OC)NS(=O)(=O)C2=CC=CC=C2)SN=O

InChI

InChI=1S/C15H21N3O5S2/c1-18-10-8-15(9-11-18,24-17-20)13(14(19)23-2)16-25(21,22)12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3