3-(phenylsulfonyl)-1-[4-(6-quinolin-3-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(phenylsulfonyl)-1-[4-(6-quinolin-3-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-[6-(3-quinolyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-[6-(3-quinolinyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(6-quinolin-3-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-[6-(3-quinolyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCS(=O)(=O)C2=CC=CC=C2)C3=NC=NC(=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCS(=O)(=O)C2=CC=CC=C2)C3=NC=NC(=C3)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H27N5O3S/c33-27(11-16-36(34,35)23-8-2-1-3-9-23)32-13-6-12-31(14-15-32)26-18-25(29-20-30-26)22-17-21-7-4-5-10-24(21)28-19-22/h1-5,7-10,17-20H,6,11-16H2