5-methyl-1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-methyl-1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-methyl-isatin Formula: C20H22N3O4S+ MolecularWeight: 400.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4S/c1-15-7-8-18-17(13-15)19(24)20(25)23(18)14-21-9-11-22(12-10-21)28(26,27)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1