(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3S/c1-20-26(21(2)30(28-20)23-10-6-5-7-11-23)27-25(31)17-14-22-12-15-24(16-13-22)34(32,33)29-18-8-3-4-9-19-29/h5-7,10-17H,3-4,8-9,18-19H2,1-2H3,(H,27,31)/b17-14+