4-methylsulfanyl-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-(methylthio)-3-nitro-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(methylthio)-3-nitro-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S2/c1-27-17-8-7-13(11-16(17)21(23)24)18(22)19-14-5-4-6-15(12-14)28(25,26)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,22)