[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(3-phenylcinnolin-4-yl)methanone

Systemtic Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(3-phenylcinnolin-4-yl)methanone Openeye Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(3-phenylcinnolin-4-yl)methanone CAS Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(3-phenyl-4-cinnolinyl)methanone IUPAC Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(3-phenylcinnolin-4-yl)methanone Traditional Name: [4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-(3-phenylcinnolin-4-yl)methanone Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3S/c1-36(34,35)23-14-12-21(13-15-23)20-31-16-7-17-32(19-18-31)28(33)26-24-10-5-6-11-25(24)29-30-27(26)22-8-3-2-4-9-22/h2-6,8-15H,7,16-20H2,1H3