[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H28N2O7S2 MolecularWeight: 472.57552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H28N2O7S2/c1-15-6-7-16(12-18(15)31(27,28)22-9-4-3-5-10-22)20(24)29-13-19(23)21(2)17-8-11-30(25,26)14-17/h6-7,12,17H,3-5,8-11,13-14H2,1-2H3/t17-/m0/s1