1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3,4-dichlorobenzyl)-4-(4-propylphenyl)sulfonyl-1,4-diazepane Formula: C21H26Cl2N2O2S MolecularWeight: 441.41434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H26Cl2N2O2S/c1-2-4-17-5-8-19(9-6-17)28(26,27)25-12-3-11-24(13-14-25)16-18-7-10-20(22)21(23)15-18/h5-10,15H,2-4,11-14,16H2,1H3