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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-N-propyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-propylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-N-propyl-benzamide Formula: C20H29ClN2O5S2 MolecularWeight: 477.03766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O5S2/c1-2-10-23(17-9-13-29(25,26)15-17)20(24)16-7-8-18(21)19(14-16)30(27,28)22-11-5-3-4-6-12-22/h7-8,14,17H,2-6,9-13,15H2,1H3/t17-/m0/s1