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

Systemtic Name: 5-methyl-1-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-methyl-indoline-2,3-dione CAS Name: 5-methyl-1-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-methylindole-2,3-dione Traditional Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-methyl-isatin Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S/c1-16-7-8-19-18(13-16)20(25)21(26)24(19)15-22-9-11-23(12-10-22)29(27,28)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3/p+1