2-(3-carbamimidoylphenyl)-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide

Systemtic Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide Openeye Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(1-piperidylsulfonyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(1-piperidinylsulfonyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-5-methyl-N-(4-piperidinosulfonylphenyl)pyrazole-3-carboxamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C23H26N6O3S/c1-16-14-21(29(27-16)19-7-5-6-17(15-19)22(24)25)23(30)26-18-8-10-20(11-9-18)33(31,32)28-12-3-2-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H3,24,25)(H,26,30)