1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCCN(CC2)C(=O)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCCN(CC2)C(=O)C)C)C

InChI

InChI=1S/C18H28N2O3S/c1-12-13(2)15(4)18(16(5)14(12)3)24(22,23)20-9-7-8-19(10-11-20)17(6)21/h7-11H2,1-6H3