2-[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide

Systemtic Name: 2-[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide Openeye Name: 2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(m-tolyl)propanamide CAS Name: 2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinyl]-N-(3-methylphenyl)propanamide IUPAC Name: 2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide Traditional Name: 2-[4-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazino]-N-(m-tolyl)propionamide Formula: C22H25ClN4O5S MolecularWeight: 492.9757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C22H25ClN4O5S/c1-14-4-3-5-16(10-14)24-22(29)15(2)26-6-8-27(9-7-26)33(30,31)20-12-19-18(11-17(20)23)25-21(28)13-32-19/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,24,29)(H,25,28)