3-[3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-indol-5-yl]-N,N-dimethyl-prop-2-yn-1-amine

Systemtic Name: 3-[3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-indol-5-yl]-N,N-dimethyl-prop-2-yn-1-amine Openeye Name: 3-[3-(3-methoxyphenyl)-1-(p-tolylsulfonyl)indol-5-yl]-N,N-dimethyl-prop-2-yn-1-amine CAS Name: 3-[3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-indolyl]-N,N-dimethyl-2-propyn-1-amine IUPAC Name: 3-[3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-5-yl]-N,N-dimethylprop-2-yn-1-amine Traditional Name: 3-[3-(3-methoxyphenyl)-1-tosyl-indol-5-yl]prop-2-ynyl-dimethyl-amine Formula: C27H26N2O3S MolecularWeight: 458.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#CCN(C)C)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#CCN(C)C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H26N2O3S/c1-20-10-13-24(14-11-20)33(30,31)29-19-26(22-8-5-9-23(18-22)32-4)25-17-21(12-15-27(25)29)7-6-16-28(2)3/h5,8-15,17-19H,16H2,1-4H3