N3-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)benzene-1,3-disulfonamide

Systemtic Name: N3-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)benzene-1,3-disulfonamide Openeye Name: N3-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)benzene-1,3-disulfonamide CAS Name: N3-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)benzene-1,3-disulfonamide Traditional Name: N'-(4-chloro-3-pyrrolidinosulfonyl-phenyl)benzene-1,3-disulfonamide Formula: C16H18ClN3O6S3 MolecularWeight: 479.97862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C16H18ClN3O6S3/c17-15-7-6-12(10-16(15)29(25,26)20-8-1-2-9-20)19-28(23,24)14-5-3-4-13(11-14)27(18,21)22/h3-7,10-11,19H,1-2,8-9H2,(H2,18,21,22)