[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone Openeye Name: (2-methyl-4-phenyl-thiazol-5-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-4-phenyl-5-thiazolyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone Traditional Name: (2-methyl-4-phenyl-thiazol-5-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N=C(S3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N=C(S3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S2/c1-17-9-11-20(12-10-17)31(28,29)26-14-6-13-25(15-16-26)23(27)22-21(24-18(2)30-22)19-7-4-3-5-8-19/h3-5,7-12H,6,13-16H2,1-2H3