5-(aminomethyl)-1-(4-chlorophenyl)-N-[1-(6-methylsulfonylpyridin-3-yl)butyl]pyrazole-4-carboxamide

Systemtic Name: 5-(aminomethyl)-1-(4-chlorophenyl)-N-[1-(6-methylsulfonylpyridin-3-yl)butyl]pyrazole-4-carboxamide Openeye Name: 5-(aminomethyl)-1-(4-chlorophenyl)-N-[1-(6-methylsulfonyl-3-pyridyl)butyl]pyrazole-4-carboxamide CAS Name: 5-(aminomethyl)-1-(4-chlorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]-4-pyrazolecarboxamide IUPAC Name: 5-(aminomethyl)-1-(4-chlorophenyl)-N-[1-(6-methylsulfonylpyridin-3-yl)butyl]pyrazole-4-carboxamide Traditional Name: 5-(aminomethyl)-1-(4-chlorophenyl)-N-[1-(6-mesyl-3-pyridyl)butyl]pyrazole-4-carboxamide Formula: C21H24ClN5O3S MolecularWeight: 461.96496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN=C(C=C1)S(=O)(=O)C)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)CN

Isomeric SMILES

CCCC(C1=CN=C(C=C1)S(=O)(=O)C)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)CN

InChI

InChI=1S/C21H24ClN5O3S/c1-3-4-18(14-5-10-20(24-12-14)31(2,29)30)26-21(28)17-13-25-27(19(17)11-23)16-8-6-15(22)7-9-16/h5-10,12-13,18H,3-4,11,23H2,1-2H3,(H,26,28)