5-ethylsulfanyl-2-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonyl-indole

Systemtic Name: 5-ethylsulfanyl-2-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonyl-indole Openeye Name: 5-ethylsulfanyl-1-(4-isopropylphenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole CAS Name: 5-(ethylthio)-2-[(4-methyl-1-piperazinyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole IUPAC Name: 5-ethylsulfanyl-2-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole Traditional Name: 5-(ethylthio)-2-[(4-methylpiperazino)methyl]-1-p-cumenylsulfonyl-indole Formula: C25H33N3O2S2 MolecularWeight: 471.67842

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2S2/c1-5-31-23-8-11-25-21(17-23)16-22(18-27-14-12-26(4)13-15-27)28(25)32(29,30)24-9-6-20(7-10-24)19(2)3/h6-11,16-17,19H,5,12-15,18H2,1-4H3