(2S)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

Systemtic Name: (2S)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-2-methyl-2,3-dihydroindole-5-sulfonamide Openeye Name: (2S)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-2-methyl-indoline-5-sulfonamide CAS Name: (2S)-1-[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide IUPAC Name: (2S)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide Traditional Name: (2S)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-2-methyl-indoline-5-sulfonamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)C=CC(=C2)S(=O)(=O)N

Isomeric SMILES

C[C@H]1CC2=C(N1C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)C=CC(=C2)S(=O)(=O)N

InChI

InChI=1S/C21H26N4O4S/c1-15-12-16-13-19(30(22,28)29)6-7-20(16)25(15)21(27)14-23-8-10-24(11-9-23)17-2-4-18(26)5-3-17/h2-7,13,15,26H,8-12,14H2,1H3,(H2,22,28,29)/p+1/t15-/m0/s1