4-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-homoveratryl-3-pyrrolidinosulfonyl-benzamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-28-18-8-5-15(13-19(18)29-2)9-10-23-21(25)16-6-7-17(22)20(14-16)30(26,27)24-11-3-4-12-24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,25)