N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-1-(o-tolyl)pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-5-methyl-1-(2-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-1-(o-tolyl)pyrazole-4-carboxamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C24H28N4O3S/c1-18-10-5-6-13-23(18)28-19(2)22(17-25-28)24(29)26-20-11-9-12-21(16-20)32(30,31)27-14-7-3-4-8-15-27/h5-6,9-13,16-17H,3-4,7-8,14-15H2,1-2H3,(H,26,29)