N-(3-nitrophenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide Openeye Name: N-(3-nitrophenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-acetamide CAS Name: N-(3-nitrophenyl)-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetamide Traditional Name: N-(3-nitrophenyl)-2-[(4-pyrrolidinosulfonylphenyl)thio]acetamide Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S2/c22-18(19-14-4-3-5-15(12-14)21(23)24)13-27-16-6-8-17(9-7-16)28(25,26)20-10-1-2-11-20/h3-9,12H,1-2,10-11,13H2,(H,19,22)