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

Systemtic Name: (E)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1,3-benzodioxol-5-yl)acrylamide Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N2O5S/c1-17-6-9-19(15-22(17)31(27,28)25-12-4-2-3-5-13-25)24-23(26)11-8-18-7-10-20-21(14-18)30-16-29-20/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,24,26)/b11-8+