[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-quinolin-2-yl-methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(2-quinolyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-quinolinyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-quinolin-2-ylmethanone Traditional Name: 2-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=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

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