(6-methyl-2-phenyl-quinolin-4-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (6-methyl-2-phenyl-quinolin-4-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (6-methyl-2-phenyl-4-quinolyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (6-methyl-2-phenyl-4-quinolinyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (6-methyl-2-phenylquinolin-4-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(6-methyl-2-phenyl-4-quinolyl)methanone Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

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