1-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethyl-3-(phenylsulfonyl)pyrrol-2-amine

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethyl-3-(phenylsulfonyl)pyrrol-2-amine Openeye Name: 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethyl-pyrrol-2-amine CAS Name: 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethyl-2-pyrrolamine IUPAC Name: 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethylpyrrol-2-amine Traditional Name: (3-besyl-1-homoveratryl-4,5-dimethyl-pyrrol-2-yl)amine Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H26N2O4S/c1-15-16(2)24(13-12-17-10-11-19(27-3)20(14-17)28-4)22(23)21(15)29(25,26)18-8-6-5-7-9-18/h5-11,14H,12-13,23H2,1-4H3