[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl]-(3-piperidin-1-ylsulfonylphenyl)azanium

Systemtic Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl]-(3-piperidin-1-ylsulfonylphenyl)azanium Openeye Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl]-[3-(1-piperidylsulfonyl)phenyl]ammonium CAS Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-[3-(1-piperidinylsulfonyl)phenyl]ammonium IUPAC Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-(3-piperidin-1-ylsulfonylphenyl)azanium Traditional Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl]-(3-piperidinosulfonylphenyl)ammonium Formula: C21H26N3O3S2+ MolecularWeight: 432.57944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[NH2+]CC(=O)N3CCSC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[NH2+]CC(=O)N3CCSC4=CC=CC=C43

InChI

InChI=1S/C21H25N3O3S2/c25-21(24-13-14-28-20-10-3-2-9-19(20)24)16-22-17-7-6-8-18(15-17)29(26,27)23-11-4-1-5-12-23/h2-3,6-10,15,22H,1,4-5,11-14,16H2/p+1