4-[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetyl]amino]-3-methyl-benzoic acid Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H20N2O7S/c1-12-9-13(19(23)24)3-5-15(12)20-18(22)11-21(2)29(25,26)14-4-6-16-17(10-14)28-8-7-27-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,23,24)