N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C21H21N3O6S3 MolecularWeight: 507.60294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O6S3/c1-24(2)15-7-5-14(6-8-15)19(32(26,27)20-4-3-11-31-20)13-22-33(28,29)16-9-10-17-18(12-16)30-21(25)23-17/h3-12,19,22H,13H2,1-2H3,(H,23,25)