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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[(3S)-1,1-diketothiolan-3-yl]-4-methyl-benzamide Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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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)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H]2CCS(=O)(=O)C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H26N2O5S2/c1-14-6-7-15(18(21)19-16-8-11-26(22,23)13-16)12-17(14)27(24,25)20-9-4-2-3-5-10-20/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,19,21)/t16-/m0/s1