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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N5O3S/c1-19-25(20(2)30(28-19)22-12-6-5-7-13-22)27-24(31)18-26-21-11-10-14-23(17-21)34(32,33)29-15-8-3-4-9-16-29/h5-7,10-14,17,26H,3-4,8-9,15-16,18H2,1-2H3,(H,27,31)