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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(1,1-dioxo-3-thiolanyl)-N-methylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,1-diketothiolan-3-yl)-N-methyl-propionamide Formula: C20H30N2O5S2 MolecularWeight: 442.5926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N2O5S2/c1-21(18-12-15-28(24,25)16-18)20(23)11-8-17-6-9-19(10-7-17)29(26,27)22-13-4-2-3-5-14-22/h6-7,9-10,18H,2-5,8,11-16H2,1H3