4-bromanyl-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylbenzenesulfonamide Traditional Name: 4-bromo-N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-methyl-benzenesulfonamide Formula: C17H18BrClN2O4S2 MolecularWeight: 493.82282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C17H18BrClN2O4S2/c1-12-10-14(5-6-15(12)18)26(22,23)20-13-4-7-16(19)17(11-13)27(24,25)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3