3-nitro-N-[[1-(phenylsulfonyl)pyrrolidin-2-yl]methyl]benzamide

Systemtic Name: 3-nitro-N-[[1-(phenylsulfonyl)pyrrolidin-2-yl]methyl]benzamide Openeye Name: N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3-nitro-benzamide CAS Name: N-[[1-(benzenesulfonyl)-2-pyrrolidinyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-[(1-besylpyrrolidin-2-yl)methyl]-3-nitro-benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c22-18(14-6-4-7-15(12-14)21(23)24)19-13-16-8-5-11-20(16)27(25,26)17-9-2-1-3-10-17/h1-4,6-7,9-10,12,16H,5,8,11,13H2,(H,19,22)