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

Systemtic Name: 3-methyl-4-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 3-methyl-4-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 3-methyl-4-nitro-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 3-methyl-4-nitro-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-13-11-14(7-8-17(13)21(23)24)18(22)19-15-5-4-6-16(12-15)27(25,26)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,22)