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

Systemtic Name: (E)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(1-methyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1-methylpyrazol-4-yl)acrylamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C=CC2=CN(N=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CN(N=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N4O3S/c1-16-7-9-18(22-20(25)10-8-17-14-21-23(2)15-17)13-19(16)28(26,27)24-11-5-3-4-6-12-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,22,25)/b10-8+