N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-4-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-4-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H]2CCS(=O)(=O)C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H22N2O5S2/c1-12-4-5-13(16(19)17-14-6-9-24(20,21)11-14)10-15(12)25(22,23)18-7-2-3-8-18/h4-5,10,14H,2-3,6-9,11H2,1H3,(H,17,19)/t14-/m0/s1