N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-1-methyl-indole-3-carboxamide

Systemtic Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-1-methyl-indole-3-carboxamide Openeye Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-1-methyl-indole-3-carboxamide CAS Name: N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-methyl-3-indolecarboxamide IUPAC Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-methylindole-3-carboxamide Traditional Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-1-methyl-indole-3-carboxamide Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C22H26N4O4S/c1-24-10-12-26(13-11-24)31(28,29)16-8-9-21(30-3)19(14-16)23-22(27)18-15-25(2)20-7-5-4-6-17(18)20/h4-9,14-15H,10-13H2,1-3H3,(H,23,27)/p+1