2-(6-chloranyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-chloranyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-(6-chloro-1H-indol-3-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetic acid CAS Name: 2-(6-chloro-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetic acid IUPAC Name: 2-(6-chloro-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetic acid Traditional Name: 2-(6-chloro-1H-indol-3-yl)-2-(4-tosylpiperazino)acetic acid Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CNC4=C3C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CNC4=C3C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C21H22ClN3O4S/c1-14-2-5-16(6-3-14)30(28,29)25-10-8-24(9-11-25)20(21(26)27)18-13-23-19-12-15(22)4-7-17(18)19/h2-7,12-13,20,23H,8-11H2,1H3,(H,26,27)