2-methyl-3-(4-piperazin-1-ylindol-1-yl)sulfonyl-benzenethiol

Systemtic Name: 2-methyl-3-(4-piperazin-1-ylindol-1-yl)sulfonyl-benzenethiol Openeye Name: 2-methyl-3-(4-piperazin-1-ylindol-1-yl)sulfonyl-benzenethiol CAS Name: 2-methyl-3-[[4-(1-piperazinyl)-1-indolyl]sulfonyl]benzenethiol IUPAC Name: 2-methyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenethiol Traditional Name: 2-methyl-3-(4-piperazinoindol-1-yl)sulfonyl-benzenethiol Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCNCC4)S

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCNCC4)S

InChI

InChI=1S/C19H21N3O2S2/c1-14-18(25)6-3-7-19(14)26(23,24)22-11-8-15-16(4-2-5-17(15)22)21-12-9-20-10-13-21/h2-8,11,20,25H,9-10,12-13H2,1H3