N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxoacetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H30N4O4S/c1-18-13-14-21(17-23(18)35(33,34)29-15-9-4-5-10-16-29)27-26(32)25(31)24-19(2)28-30(20(24)3)22-11-7-6-8-12-22/h6-8,11-14,17H,4-5,9-10,15-16H2,1-3H3,(H,27,32)