3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-quinazolin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-quinazolin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]quinazolin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-4-quinazolinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonylquinazolin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-6-(4-methylpiperidino)sulfonyl-quinazolin-4-one Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)N4CCCCCC4

InChI

InChI=1S/C22H30N4O4S/c1-17-8-12-26(13-9-17)31(29,30)18-6-7-20-19(14-18)22(28)25(16-23-20)15-21(27)24-10-4-2-3-5-11-24/h6-7,14,16-17H,2-5,8-13,15H2,1H3