1-(1-benzofuran-2-ylmethyl)-3-(4-butoxyphenyl)sulfonyl-1-methyl-urea

Systemtic Name: 1-(1-benzofuran-2-ylmethyl)-3-(4-butoxyphenyl)sulfonyl-1-methyl-urea Openeye Name: 1-(benzofuran-2-ylmethyl)-3-(4-butoxyphenyl)sulfonyl-1-methyl-urea CAS Name: 1-(2-benzofuranylmethyl)-3-(4-butoxyphenyl)sulfonyl-1-methylurea IUPAC Name: 1-(1-benzofuran-2-ylmethyl)-3-(4-butoxyphenyl)sulfonyl-1-methylurea Traditional Name: 1-(benzofuran-2-ylmethyl)-3-(4-butoxyphenyl)sulfonyl-1-methyl-urea Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(C)CC2=CC3=CC=CC=C3O2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(C)CC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H24N2O5S/c1-3-4-13-27-17-9-11-19(12-10-17)29(25,26)22-21(24)23(2)15-18-14-16-7-5-6-8-20(16)28-18/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,24)