5-ethylsulfanyl-2-[(4-methylpiperazin-1-yl)methyl]-1-(phenylsulfonyl)indole

Systemtic Name: 5-ethylsulfanyl-2-[(4-methylpiperazin-1-yl)methyl]-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-5-ethylsulfanyl-2-[(4-methylpiperazin-1-yl)methyl]indole CAS Name: 1-(benzenesulfonyl)-5-(ethylthio)-2-[(4-methyl-1-piperazinyl)methyl]indole IUPAC Name: 1-(benzenesulfonyl)-5-ethylsulfanyl-2-[(4-methylpiperazin-1-yl)methyl]indole Traditional Name: 1-besyl-5-(ethylthio)-2-[(4-methylpiperazino)methyl]indole Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)N(C(=C2)CN3CCN(CC3)C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCSC1=CC2=C(C=C1)N(C(=C2)CN3CCN(CC3)C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2S2/c1-3-28-20-9-10-22-18(16-20)15-19(17-24-13-11-23(2)12-14-24)25(22)29(26,27)21-7-5-4-6-8-21/h4-10,15-16H,3,11-14,17H2,1-2H3