3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

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