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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3S)-1,1-diketothiolan-3-yl]benzamide Formula: C17H23ClN2O5S2 MolecularWeight: 434.95792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCS(=O)(=O)C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N[C@H]3CCS(=O)(=O)C3)Cl

InChI

InChI=1S/C17H23ClN2O5S2/c18-15-6-5-13(17(21)19-14-7-10-26(22,23)12-14)11-16(15)27(24,25)20-8-3-1-2-4-9-20/h5-6,11,14H,1-4,7-10,12H2,(H,19,21)/t14-/m0/s1