(7-chloranyl-1,3-benzodioxol-5-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H21ClN2O5S/c1-14-3-5-16(6-4-14)29(25,26)23-8-2-7-22(9-10-23)20(24)15-11-17(21)19-18(12-15)27-13-28-19/h3-6,11-12H,2,7-10,13H2,1H3