2-[(2S)-6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(2S)-6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(2S)-6-chloro-3-keto-4H-1,4-benzothiazin-2-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C22H26ClN4O2S+ MolecularWeight: 445.98544

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[C@H]3C(=O)NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C22H25ClN4O2S/c1-2-26-9-11-27(12-10-26)17-6-4-16(5-7-17)24-21(28)14-20-22(29)25-18-13-15(23)3-8-19(18)30-20/h3-8,13,20H,2,9-12,14H2,1H3,(H,24,28)(H,25,29)/p+1/t20-/m0/s1