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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-(tosylamino)valeramide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5S/c1-13(2)10-18(24-30(26,27)15-6-4-14(3)5-7-15)21(25)23-17-12-20-19(11-16(17)22)28-8-9-29-20/h4-7,11-13,18,24H,8-10H2,1-3H3,(H,23,25)