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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-propyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-propylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[(3S)-1,1-diketothiolan-3-yl]-N-propyl-benzamide Formula: C20H30N2O5S2 MolecularWeight: 442.5926

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N2O5S2/c1-2-11-22(18-10-14-28(24,25)16-18)20(23)17-8-7-9-19(15-17)29(26,27)21-12-5-3-4-6-13-21/h7-9,15,18H,2-6,10-14,16H2,1H3/t18-/m0/s1