N-[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[1-benzyl-2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]furan-2-carboxamide CAS Name: N-[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[1-benzyl-2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-2-furamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H29N3O5S/c1-20-10-12-22(13-11-20)35(32,33)29-15-6-14-28(16-17-29)26(31)23(19-21-7-3-2-4-8-21)27-25(30)24-9-5-18-34-24/h2-5,7-13,18,23H,6,14-17,19H2,1H3,(H,27,30)