[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-quinolin-8-yl-methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-quinolin-8-yl-methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(8-quinolyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(8-quinolinyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-quinolin-8-ylmethanone Traditional Name: 8-quinolyl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-17-8-10-19(11-9-17)29(27,28)25-14-4-13-24(15-16-25)22(26)20-7-2-5-18-6-3-12-23-21(18)20/h2-3,5-12H,4,13-16H2,1H3