3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1-isobutyl-3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-(2-methylpropyl)-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-isobutyl-3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-c]pyrazole-5-carboxamide Formula: C22H30N5O3S2+ MolecularWeight: 476.6353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)CC(C)C

InChI

InChI=1S/C22H29N5O3S2/c1-15(2)14-27-22-19(16(3)24-27)13-20(31-22)21(28)23-17-5-7-18(8-6-17)32(29,30)26-11-9-25(4)10-12-26/h5-8,13,15H,9-12,14H2,1-4H3,(H,23,28)/p+1