N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(1,3-dithiolan-2-yl)benzamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-4-(1,3-dithiolan-2-yl)benzamide Formula: C20H21ClN2O3S3 MolecularWeight: 469.04034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4SCCS4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4SCCS4)Cl

InChI

InChI=1S/C20H21ClN2O3S3/c21-17-8-7-16(13-18(17)29(25,26)23-9-1-2-10-23)22-19(24)14-3-5-15(6-4-14)20-27-11-12-28-20/h3-8,13,20H,1-2,9-12H2,(H,22,24)