[2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]-thiophen-2-yl-methanone

Systemtic Name: [2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]-thiophen-2-yl-methanone Openeye Name: [2-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]-(2-thienyl)methanone CAS Name: [2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]-thiophen-2-ylmethanone IUPAC Name: [2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]-thiophen-2-ylmethanone Traditional Name: 2-thienyl-[2-(4-tosyl-1,4-diazepane-1-carbonyl)phenyl]methanone Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C24H24N2O4S2/c1-18-9-11-19(12-10-18)32(29,30)26-14-5-13-25(15-16-26)24(28)21-7-3-2-6-20(21)23(27)22-8-4-17-31-22/h2-4,6-12,17H,5,13-16H2,1H3