4-methyl-3,5-dinitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-methyl-3,5-dinitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-methyl-3,5-dinitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-methyl-3,5-dinitro-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-methyl-3,5-dinitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-methyl-3,5-dinitro-N-(4-pyrrolidinosulfonylphenyl)benzamide Formula: C18H18N4O7S MolecularWeight: 434.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O7S/c1-12-16(21(24)25)10-13(11-17(12)22(26)27)18(23)19-14-4-6-15(7-5-14)30(28,29)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,23)