N-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-(4-tosyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C24H25N3O4S2 MolecularWeight: 483.603

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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=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4S2/c1-18-8-10-21(11-9-18)33(30,31)27-13-4-12-26(14-15-27)24(29)19-5-2-6-20(17-19)25-23(28)22-7-3-16-32-22/h2-3,5-11,16-17H,4,12-15H2,1H3,(H,25,28)