2-[[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl-methylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl-methylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C25H30N6O3S MolecularWeight: 494.6091

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN(C)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN(C)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H30N6O3S/c1-3-31-22-12-11-18(35(33,34)30-13-7-4-8-14-30)15-21(22)27-24(31)17-29(2)16-23-26-20-10-6-5-9-19(20)25(32)28-23/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3,(H,26,28,32)