2-chloranyl-N-[3-(1,3-dithian-2-yl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[3-(1,3-dithian-2-yl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[3-(1,3-dithian-2-yl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[3-(1,3-dithian-2-yl)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[3-(1,3-dithian-2-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[3-(1,3-dithian-2-yl)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H23ClN2O3S3 MolecularWeight: 483.06692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C4SCCCS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C4SCCCS4

InChI

InChI=1S/C21H23ClN2O3S3/c22-19-8-7-17(30(26,27)24-9-1-2-10-24)14-18(19)20(25)23-16-6-3-5-15(13-16)21-28-11-4-12-29-21/h3,5-8,13-14,21H,1-2,4,9-12H2,(H,23,25)