ethyl 4-(4-oxidanylidenespiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)sulfonylbenzoate

Systemtic Name: ethyl 4-(4-oxidanylidenespiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)sulfonylbenzoate Openeye Name: ethyl 4-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)sulfonylbenzoate CAS Name: 4-[(4-oxo-1'-spiro[1,3-dihydroquinazoline-2,4'-piperidine]yl)sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)sulfonylbenzoate Traditional Name: 4-(4-ketospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)sulfonylbenzoic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)NC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)NC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H23N3O5S/c1-2-29-20(26)15-7-9-16(10-8-15)30(27,28)24-13-11-21(12-14-24)22-18-6-4-3-5-17(18)19(25)23-21/h3-10,22H,2,11-14H2,1H3,(H,23,25)