2-(3-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(3-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(3-oxo-7-pyrrolidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide CAS Name: 2-[3-oxo-7-(1-pyrrolidinylsulfonyl)-1,4-benzothiazin-4-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(3-oxo-7-pyrrolidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide Traditional Name: N-benzyl-2-(3-keto-7-pyrrolidinosulfonyl-1,4-benzothiazin-4-yl)acetamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)CS3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)CS3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S2/c25-20(22-13-16-6-2-1-3-7-16)14-24-18-9-8-17(12-19(18)29-15-21(24)26)30(27,28)23-10-4-5-11-23/h1-3,6-9,12H,4-5,10-11,13-15H2,(H,22,25)