2-(azepan-1-ylcarbonyl)-N-ethyl-3-oxidanylidene-N-(phenylmethyl)-4H-1,4-benzothiazine-6-sulfonamide

Systemtic Name: 2-(azepan-1-ylcarbonyl)-N-ethyl-3-oxidanylidene-N-(phenylmethyl)-4H-1,4-benzothiazine-6-sulfonamide Openeye Name: 2-(azepane-1-carbonyl)-N-benzyl-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide CAS Name: 2-[1-azepanyl(oxo)methyl]-N-ethyl-3-oxo-N-(phenylmethyl)-4H-1,4-benzothiazine-6-sulfonamide IUPAC Name: 2-(azepane-1-carbonyl)-N-benzyl-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide Traditional Name: 2-(azepane-1-carbonyl)-N-benzyl-N-ethyl-3-keto-4H-1,4-benzothiazine-6-sulfonamide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C(=O)N4CCCCCC4

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O4S2/c1-2-27(17-18-10-6-5-7-11-18)33(30,31)19-12-13-21-20(16-19)25-23(28)22(32-21)24(29)26-14-8-3-4-9-15-26/h5-7,10-13,16,22H,2-4,8-9,14-15,17H2,1H3,(H,25,28)