3,5-dimethyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1,2-oxazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1,2-oxazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]isoxazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-4-isoxazolesulfonamide IUPAC Name: 3,5-dimethyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1,2-oxazole-4-sulfonamide Traditional Name: N-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C20H28N4O6S2 MolecularWeight: 484.58952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCNS(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCNS(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C20H28N4O6S2/c1-15-5-7-18(8-6-15)32(28,29)24-12-4-11-23(13-14-24)19(25)9-10-21-31(26,27)20-16(2)22-30-17(20)3/h5-8,21H,4,9-14H2,1-3H3