3-(8-chloranyl-2-oxidanylidene-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxypropane-1-sulfonic acid

Systemtic Name: 3-(8-chloranyl-2-oxidanylidene-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxypropane-1-sulfonic acid Openeye Name: 3-(8-chloro-2-oxo-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxypropane-1-sulfonic acid CAS Name: 3-[(8-chloro-2-oxo-5-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]yl)oxy]-1-propanesulfonic acid IUPAC Name: 3-(8-chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxypropane-1-sulfonic acid Traditional Name: 3-(8-chloro-2-keto-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxypropane-1-sulfonic acid Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C3=C(C=CC(=C3NC(=O)N2)Cl)OCCCS(=O)(=O)O

Isomeric SMILES

C1CCC2(CC1)C3=C(C=CC(=C3NC(=O)N2)Cl)OCCCS(=O)(=O)O

InChI

InChI=1S/C16H21ClN2O5S/c17-11-5-6-12(24-9-4-10-25(21,22)23)13-14(11)18-15(20)19-16(13)7-2-1-3-8-16/h5-6H,1-4,7-10H2,(H2,18,19,20)(H,21,22,23)