2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(phenylmethyl)sulfonylpiperidin-1-yl]pyrazole-3-carboxamide

Systemtic Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(phenylmethyl)sulfonylpiperidin-1-yl]pyrazole-3-carboxamide Openeye Name: N-(4-benzylsulfonyl-1-piperidyl)-2-(3-carbamimidoylphenyl)-5-methyl-pyrazole-3-carboxamide CAS Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(phenylmethyl)sulfonyl-1-piperidinyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-benzylsulfonylpiperidin-1-yl)-2-(3-carbamimidoylphenyl)-5-methylpyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-N-(4-benzylsulfonylpiperidino)-5-methyl-pyrazole-3-carboxamide Formula: C24H28N6O3S MolecularWeight: 480.58252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NN2CCC(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NN2CCC(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C24H28N6O3S/c1-17-14-22(30(27-17)20-9-5-8-19(15-20)23(25)26)24(31)28-29-12-10-21(11-13-29)34(32,33)16-18-6-3-2-4-7-18/h2-9,14-15,21H,10-13,16H2,1H3,(H3,25,26)(H,28,31)