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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C(=O)NN2CCC(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CC1=C(C(=NN1)C(=O)NN2CCC(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC(=CC=C4)C(=N)N

InChI

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