1-[2,4-bis(chloranyl)-6-methyl-phenyl]sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[2,4-bis(chloranyl)-6-methyl-phenyl]sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(2,4-dichloro-6-methyl-phenyl)sulfonyl-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-(2,4-dichloro-6-methylphenyl)sulfonyl-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-(2,4-dichloro-6-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(2,4-dichloro-6-methyl-phenyl)sulfonyl-4-(3-thenyl)-1,4-diazepane Formula: C17H20Cl2N2O2S2 MolecularWeight: 419.3889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3)Cl)Cl

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3)Cl)Cl

InChI

InChI=1S/C17H20Cl2N2O2S2/c1-13-9-15(18)10-16(19)17(13)25(22,23)21-5-2-4-20(6-7-21)11-14-3-8-24-12-14/h3,8-10,12H,2,4-7,11H2,1H3