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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3)Cl

InChI

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