N-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-oxopropyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]phenyl]-3-methyl-butyramide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H26N2O6S/c1-15(2)13-22(26)24-17-5-3-16(4-6-17)23-21(25)9-12-31(27,28)18-7-8-19-20(14-18)30-11-10-29-19/h3-8,14-15H,9-13H2,1-2H3,(H,23,25)(H,24,26)