N-[[3-(methylsulfonylamino)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[3-(methylsulfonylamino)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[3-(methanesulfonamido)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3-(methanesulfonamido)phenyl]methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[3-(methanesulfonamido)phenyl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(methanesulfonamido)benzyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-29(27,28)21-16-6-4-5-14(11-16)13-20-19(24)15-7-8-17(18(12-15)23(25)26)22-9-2-3-10-22/h4-8,11-12,21H,2-3,9-10,13H2,1H3,(H,20,24)