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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-benzyl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-benzylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-benzyl-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=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O3S/c1-19-11-12-22(15-23(19)32(30,31)28-13-7-2-3-8-14-28)26-24(29)21-16-25-27(18-21)17-20-9-5-4-6-10-20/h4-6,9-12,15-16,18H,2-3,7-8,13-14,17H2,1H3,(H,26,29)