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

Systemtic Name: 3-[5-(3-methoxyphenyl)-1-(phenylsulfonyl)indol-3-yl]-N,N-dimethyl-prop-2-yn-1-amine Openeye Name: 3-[1-(benzenesulfonyl)-5-(3-methoxyphenyl)indol-3-yl]-N,N-dimethyl-prop-2-yn-1-amine CAS Name: 3-[1-(benzenesulfonyl)-5-(3-methoxyphenyl)-3-indolyl]-N,N-dimethyl-2-propyn-1-amine IUPAC Name: 3-[1-(benzenesulfonyl)-5-(3-methoxyphenyl)indol-3-yl]-N,N-dimethylprop-2-yn-1-amine Traditional Name: 3-[1-besyl-5-(3-methoxyphenyl)indol-3-yl]prop-2-ynyl-dimethyl-amine Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CN(C2=C1C=C(C=C2)C3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C)CC#CC1=CN(C2=C1C=C(C=C2)C3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-27(2)16-8-10-22-19-28(32(29,30)24-12-5-4-6-13-24)26-15-14-21(18-25(22)26)20-9-7-11-23(17-20)31-3/h4-7,9,11-15,17-19H,16H2,1-3H3