N-cyclopropyl-2-[3-nitro-5-(phenylmethyl)sulfonyl-phenyl]sulfanyl-ethanamide

Systemtic Name: N-cyclopropyl-2-[3-nitro-5-(phenylmethyl)sulfonyl-phenyl]sulfanyl-ethanamide Openeye Name: 2-(3-benzylsulfonyl-5-nitro-phenyl)sulfanyl-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[[3-nitro-5-(phenylmethyl)sulfonylphenyl]thio]acetamide IUPAC Name: 2-(3-benzylsulfonyl-5-nitrophenyl)sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[(3-benzylsulfonyl-5-nitro-phenyl)thio]-N-cyclopropyl-acetamide Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=CC(=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC1NC(=O)CSC2=CC(=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O5S2/c21-18(19-14-6-7-14)11-26-16-8-15(20(22)23)9-17(10-16)27(24,25)12-13-4-2-1-3-5-13/h1-5,8-10,14H,6-7,11-12H2,(H,19,21)