1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one Openeye Name: 3-(5-phenyl-2-furyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(5-phenyl-2-furanyl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one Traditional Name: 3-(5-phenyl-2-furyl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4S/c1-20-8-12-23(13-9-20)32(29,30)27-17-5-16-26(18-19-27)25(28)15-11-22-10-14-24(31-22)21-6-3-2-4-7-21/h2-4,6-10,12-14H,5,11,15-19H2,1H3