(2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)propan-1-one Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)C(C)C(=O)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)[C@@H](C)C(=O)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C24H29N3O3S/c1-17-9-11-20(12-10-17)31(29,30)27-14-6-13-26(15-16-27)19(3)24(28)23-18(2)25-22-8-5-4-7-21(22)23/h4-5,7-12,19,25H,6,13-16H2,1-3H3/p+1/t19-/m0/s1