N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(p-tolylsulfonylamino)propanamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(tosylamino)propionamide Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H19BrN2O5S/c1-12-2-4-13(5-3-12)27(23,24)20-7-6-18(22)21-15-11-17-16(10-14(15)19)25-8-9-26-17/h2-5,10-11,20H,6-9H2,1H3,(H,21,22)