1-(2-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-(2-thienylmethyl)-1,4-diazepane CAS Name: 1-(2-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(2-thenyl)-1,4-diazepane Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C16H19N3O4S2/c20-19(21)15-6-1-2-7-16(15)25(22,23)18-9-4-8-17(10-11-18)13-14-5-3-12-24-14/h1-3,5-7,12H,4,8-11,13H2