(3-iodanylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-iodanylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-iodophenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-iodophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-iodophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-iodophenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C19H21IN2O3S MolecularWeight: 484.35111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21IN2O3S/c1-15-6-8-18(9-7-15)26(24,25)22-11-3-10-21(12-13-22)19(23)16-4-2-5-17(20)14-16/h2,4-9,14H,3,10-13H2,1H3