1-(5-bromanylthiophen-2-yl)sulfonyl-4-[(4-nitrophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-4-[(4-nitrophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-[(4-nitrophenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-[(4-nitrophenyl)methyl]-1,4-diazepane IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-4-[(4-nitrophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-(4-nitrobenzyl)-1,4-diazepane Formula: C16H18BrN3O4S2 MolecularWeight: 460.36582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Br)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Br)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN3O4S2/c17-15-6-7-16(25-15)26(23,24)19-9-1-8-18(10-11-19)12-13-2-4-14(5-3-13)20(21)22/h2-7H,1,8-12H2