3-chloranyl-N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-benzenesulfonamide Openeye Name: 3-chloro-N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-benzenesulfonamide CAS Name: 3-chloro-N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-2-methylbenzenesulfonamide IUPAC Name: 3-chloro-N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide Traditional Name: 3-chloro-N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]-2-methyl-benzenesulfonamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3

InChI

InChI=1S/C21H28ClN3O2S/c1-16-19(22)7-6-8-21(16)28(26,27)23-15-20(25-13-4-5-14-25)17-9-11-18(12-10-17)24(2)3/h6-12,20,23H,4-5,13-15H2,1-3H3