3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-5-carboximidamide

Systemtic Name: 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-5-carboximidamide Openeye Name: 3-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-1H-indole-5-carboxamidine CAS Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1H-indole-5-carboximidamide IUPAC Name: 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1H-indole-5-carboximidamide Traditional Name: 3-[2-keto-2-(4-tosylpiperazino)ethyl]-1H-indole-5-carboxamidine Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CNC4=C3C=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CNC4=C3C=C(C=C4)C(=N)N

InChI

InChI=1S/C22H25N5O3S/c1-15-2-5-18(6-3-15)31(29,30)27-10-8-26(9-11-27)21(28)13-17-14-25-20-7-4-16(22(23)24)12-19(17)20/h2-7,12,14,25H,8-11,13H2,1H3,(H3,23,24)