1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-(3-thenyl)-1,4-diazepane Formula: C18H23BrN2O2S2 MolecularWeight: 443.42142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C18H23BrN2O2S2/c1-2-16-12-17(19)4-5-18(16)25(22,23)21-8-3-7-20(9-10-21)13-15-6-11-24-14-15/h4-6,11-12,14H,2-3,7-10,13H2,1H3