2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1H-quinazolin-4-one Openeye Name: 2-[1-(4-methoxyphenyl)sulfonyl-3-piperidyl]-1H-quinazolin-4-one CAS Name: 2-[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1H-quinazolin-4-one Traditional Name: 2-[1-(4-methoxyphenyl)sulfonyl-3-piperidyl]-1H-quinazolin-4-one Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H21N3O4S/c1-27-15-8-10-16(11-9-15)28(25,26)23-12-4-5-14(13-23)19-21-18-7-3-2-6-17(18)20(24)22-19/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,22,24)