(4-tert-butylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-18-6-12-21(13-7-18)29(27,28)25-15-5-14-24(16-17-25)22(26)19-8-10-20(11-9-19)23(2,3)4/h6-13H,5,14-17H2,1-4H3