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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone Openeye Name: (2-isopropyl-4-quinolyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-propan-2-yl-4-quinolinyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone Traditional Name: (2-isopropyl-4-quinolyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C25H29N3O3S MolecularWeight: 451.58106

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-18(2)24-17-22(21-7-4-5-8-23(21)26-24)25(29)27-13-6-14-28(16-15-27)32(30,31)20-11-9-19(3)10-12-20/h4-5,7-12,17-18H,6,13-16H2,1-3H3