(2-cyclopropylquinolin-4-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-cyclopropylquinolin-4-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Formula: C24H24FN3O3S MolecularWeight: 453.529063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C24H24FN3O3S/c25-18-8-10-19(11-9-18)32(30,31)28-13-3-12-27(14-15-28)24(29)21-16-23(17-6-7-17)26-22-5-2-1-4-20(21)22/h1-2,4-5,8-11,16-17H,3,6-7,12-15H2