2-[(4-methylphenyl)sulfonyl-[4-(phenylmethyl)piperazin-2-yl]methyl]-1H-indole

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-[4-(phenylmethyl)piperazin-2-yl]methyl]-1H-indole Openeye Name: 2-[(4-benzylpiperazin-2-yl)-(p-tolylsulfonyl)methyl]-1H-indole CAS Name: 2-[(4-methylphenyl)sulfonyl-[4-(phenylmethyl)-2-piperazinyl]methyl]-1H-indole IUPAC Name: 2-[(4-benzylpiperazin-2-yl)-(4-methylphenyl)sulfonylmethyl]-1H-indole Traditional Name: 2-[(4-benzylpiperazin-2-yl)-tosyl-methyl]-1H-indole Formula: C27H29N3O2S MolecularWeight: 459.60306

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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=CC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2CN(CCN2)CC3=CC=CC=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C27H29N3O2S/c1-20-11-13-23(14-12-20)33(31,32)27(25-17-22-9-5-6-10-24(22)29-25)26-19-30(16-15-28-26)18-21-7-3-2-4-8-21/h2-14,17,26-29H,15-16,18-19H2,1H3