4-[6-chloranyl-4-(phenylsulfonyl)-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[6-chloranyl-4-(phenylsulfonyl)-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[4-(benzenesulfonyl)-6-chloro-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[4-(benzenesulfonyl)-6-chloro-2,3-dihydro-1,4-benzoxazin-8-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-(benzenesulfonyl)-6-chloro-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-(4-besyl-6-chloro-2,3-dihydro-1,4-benzoxazin-8-yl)piperazine-1-carboxylic acid Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC3=C2OCCN3S(=O)(=O)C4=CC=CC=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC3=C2OCCN3S(=O)(=O)C4=CC=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C19H20ClN3O5S/c20-14-12-16(21-6-8-22(9-7-21)19(24)25)18-17(13-14)23(10-11-28-18)29(26,27)15-4-2-1-3-5-15/h1-5,12-13H,6-11H2,(H,24,25)