[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C28H30N2O7S/c1-4-18(2)23-7-5-6-8-24(23)29-27(31)19(3)37-28(32)20-9-11-21(12-10-20)30-38(33,34)22-13-14-25-26(17-22)36-16-15-35-25/h5-14,17-19,30H,4,15-16H2,1-3H3,(H,29,31)