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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methylquinolin-4-yl)methanone Openeye Name: (2-methyl-4-quinolyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-4-quinolinyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methylquinolin-4-yl)methanone Traditional Name: (2-methyl-4-quinolyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C23H25N3O3S/c1-17-8-10-19(11-9-17)30(28,29)26-13-5-12-25(14-15-26)23(27)21-16-18(2)24-22-7-4-3-6-20(21)22/h3-4,6-11,16H,5,12-15H2,1-2H3