N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O5S2/c1-2-29-17-7-6-15(12-19(17)31(27,28)24-9-3-4-10-24)22-21(26)14-5-8-18-16(11-14)23-20(25)13-30-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,22,26)(H,23,25)