3-[(4-methylphenyl)sulfonyl-[4-(phenylmethyl)piperazin-2-yl]methyl]-1H-indol-7-amine

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-[4-(phenylmethyl)piperazin-2-yl]methyl]-1H-indol-7-amine Openeye Name: 3-[(4-benzylpiperazin-2-yl)-(p-tolylsulfonyl)methyl]-1H-indol-7-amine CAS Name: 3-[(4-methylphenyl)sulfonyl-[4-(phenylmethyl)-2-piperazinyl]methyl]-1H-indol-7-amine IUPAC Name: 3-[(4-benzylpiperazin-2-yl)-(4-methylphenyl)sulfonylmethyl]-1H-indol-7-amine Traditional Name: [3-[(4-benzylpiperazin-2-yl)-tosyl-methyl]-1H-indol-7-yl]amine Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2CN(CCN2)CC3=CC=CC=C3)C4=CNC5=C4C=CC=C5N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2CN(CCN2)CC3=CC=CC=C3)C4=CNC5=C4C=CC=C5N

InChI

InChI=1S/C27H30N4O2S/c1-19-10-12-21(13-11-19)34(32,33)27(23-16-30-26-22(23)8-5-9-24(26)28)25-18-31(15-14-29-25)17-20-6-3-2-4-7-20/h2-13,16,25,27,29-30H,14-15,17-18,28H2,1H3