1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-1,4-diazepane Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN2O2S/c1-16-14-20(17(2)13-19(16)21)26(24,25)23-10-6-9-22(11-12-23)15-18-7-4-3-5-8-18/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3