1-(5-bromanylthiophen-2-yl)sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepane Formula: C16H19BrN2O2S2 MolecularWeight: 415.36826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C16H19BrN2O2S2/c17-15-7-8-16(22-15)23(20,21)19-10-4-9-18(11-12-19)13-14-5-2-1-3-6-14/h1-3,5-8H,4,9-13H2