6-chloranyl-7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxo-propyl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[3-[4-(2,5-dimethylphenyl)piperazino]-3-keto-propyl]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5S/c1-15-3-4-16(2)19(11-15)26-6-8-27(9-7-26)23(29)5-10-33(30,31)21-13-20-18(12-17(21)24)25-22(28)14-32-20/h3-4,11-13H,5-10,14H2,1-2H3,(H,25,28)