6-chloranyl-7-[4-[(2-methylphenyl)methyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[4-[(2-methylphenyl)methyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-(o-tolylmethyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-[(2-methylphenyl)methyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-(2-methylbenzyl)piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C20H22ClN3O4S/c1-14-4-2-3-5-15(14)12-23-6-8-24(9-7-23)29(26,27)19-11-18-17(10-16(19)21)22-20(25)13-28-18/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,25)