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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

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