2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(4-sec-butylphenyl)sulfonylpiperazino]methyl]-1H-quinazolin-4-one Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C23H27ClN4O3S/c1-3-16(2)17-4-7-19(8-5-17)32(30,31)28-12-10-27(11-13-28)15-22-25-21-14-18(24)6-9-20(21)23(29)26-22/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,26,29)