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

Systemtic Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[3-(1-azepanylsulfonyl)phenyl]-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylamide Formula: C25H27ClN4O3S MolecularWeight: 499.02488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H27ClN4O3S/c1-19-23(25(26)30(28-19)21-11-5-4-6-12-21)14-15-24(31)27-20-10-9-13-22(18-20)34(32,33)29-16-7-2-3-8-17-29/h4-6,9-15,18H,2-3,7-8,16-17H2,1H3,(H,27,31)/b15-14+