3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonyl-indole-5-carbonitrile

Systemtic Name: 3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonyl-indole-5-carbonitrile Openeye Name: 1-(4-isopropylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole-5-carbonitrile CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]-1-(4-propan-2-ylphenyl)sulfonyl-5-indolecarbonitrile IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole-5-carbonitrile Traditional Name: 3-[(4-methylpiperazino)methyl]-1-p-cumenylsulfonyl-indole-5-carbonitrile Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)CN4CCN(CC4)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)CN4CCN(CC4)C

InChI

InChI=1S/C24H28N4O2S/c1-18(2)20-5-7-22(8-6-20)31(29,30)28-17-21(16-27-12-10-26(3)11-13-27)23-14-19(15-25)4-9-24(23)28/h4-9,14,17-18H,10-13,16H2,1-3H3