4-butyl-N-[4-chloranyl-3-(1-methylpyrrolidin-3-yl)oxy-phenyl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[4-chloranyl-3-(1-methylpyrrolidin-3-yl)oxy-phenyl]benzenesulfonamide Openeye Name: 4-butyl-N-[4-chloro-3-(1-methylpyrrolidin-3-yl)oxy-phenyl]benzenesulfonamide CAS Name: 4-butyl-N-[4-chloro-3-[(1-methyl-3-pyrrolidinyl)oxy]phenyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[4-chloro-3-(1-methylpyrrolidin-3-yl)oxyphenyl]benzenesulfonamide Traditional Name: 4-butyl-N-[4-chloro-3-(1-methylpyrrolidin-3-yl)oxy-phenyl]benzenesulfonamide Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)OC3CCN(C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)OC3CCN(C3)C

InChI

InChI=1S/C21H27ClN2O3S/c1-3-4-5-16-6-9-19(10-7-16)28(25,26)23-17-8-11-20(22)21(14-17)27-18-12-13-24(2)15-18/h6-11,14,18,23H,3-5,12-13,15H2,1-2H3