1-(4-methylphenyl)sulfonyl-4-(3-methyl-4-propan-2-yloxy-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(3-methyl-4-propan-2-yloxy-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(4-isopropoxy-3-methyl-phenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(4-isopropoxy-3-methyl-phenyl)sulfonyl-4-tosyl-1,4-diazepane Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S2/c1-17(2)29-22-11-10-21(16-19(22)4)31(27,28)24-13-5-12-23(14-15-24)30(25,26)20-8-6-18(3)7-9-20/h6-11,16-17H,5,12-15H2,1-4H3