3-(4-tert-butylphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(4-tert-butylphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(4-tert-butylphenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(4-tert-butylphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(4-tert-butylphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(4-tert-butylphenyl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C25H34N2O3S MolecularWeight: 442.61406

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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(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H34N2O3S/c1-20-6-13-23(14-7-20)31(29,30)27-17-5-16-26(18-19-27)24(28)15-10-21-8-11-22(12-9-21)25(2,3)4/h6-9,11-14H,5,10,15-19H2,1-4H3