cyclohexyl 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate

Systemtic Name: cyclohexyl 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: cyclohexyl 3-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonylbenzoic acid cyclohexyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C17H22N2O5S/c20-16-12-19(10-9-18-16)25(22,23)15-8-4-5-13(11-15)17(21)24-14-6-2-1-3-7-14/h4-5,8,11,14H,1-3,6-7,9-10,12H2,(H,18,20)