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

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-(phenylsulfonyl)indol-3-yl]-N,N-dimethyl-prop-2-yn-1-amine Openeye Name: 3-[1-(benzenesulfonyl)-5-(4-methoxyphenyl)indol-3-yl]-N,N-dimethyl-prop-2-yn-1-amine CAS Name: 3-[1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-indolyl]-N,N-dimethyl-2-propyn-1-amine IUPAC Name: 3-[1-(benzenesulfonyl)-5-(4-methoxyphenyl)indol-3-yl]-N,N-dimethylprop-2-yn-1-amine Traditional Name: 3-[1-besyl-5-(4-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=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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