(4-chloranyl-2-methyl-phenyl) 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: (4-chloro-2-methyl-phenyl) 4-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 4-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(3-ketopiperazino)sulfonylbenzoic acid (4-chloro-2-methyl-phenyl) ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H17ClN2O5S/c1-12-10-14(19)4-7-16(12)26-18(23)13-2-5-15(6-3-13)27(24,25)21-9-8-20-17(22)11-21/h2-7,10H,8-9,11H2,1H3,(H,20,22)