methyl 2-[[2-(2-azanylethylsulfanyl)-3-(phenylsulfonyl)indol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[2-(2-azanylethylsulfanyl)-3-(phenylsulfonyl)indol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[2-(2-aminoethylsulfanyl)-3-(benzenesulfonyl)indol-1-yl]methyl]benzoate CAS Name: 2-[[2-(2-aminoethylthio)-3-(benzenesulfonyl)-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-aminoethylsulfanyl)-3-(benzenesulfonyl)indol-1-yl]methyl]benzoate Traditional Name: 2-[[2-(2-aminoethylthio)-3-besyl-indol-1-yl]methyl]benzoic acid methyl ester Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN2C3=CC=CC=C3C(=C2SCCN)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN2C3=CC=CC=C3C(=C2SCCN)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S2/c1-31-25(28)20-12-6-5-9-18(20)17-27-22-14-8-7-13-21(22)23(24(27)32-16-15-26)33(29,30)19-10-3-2-4-11-19/h2-14H,15-17,26H2,1H3