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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C)S(=O)(=O)N4CCCCCC4

InChI

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