3-methyl-2-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-methyl-2-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-methyl-2-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 3-methyl-2-oxo-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-methyl-2-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-keto-3-methyl-N-(3-pyrrolidinosulfonylphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)OC1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)OC1=O

InChI

InChI=1S/C18H19N3O6S2/c1-20-16-12-14(7-8-17(16)27-18(20)22)28(23,24)19-13-5-4-6-15(11-13)29(25,26)21-9-2-3-10-21/h4-8,11-12,19H,2-3,9-10H2,1H3