N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-3-nitrobenzamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-4-methyl-3-nitro-benzamide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5S/c1-12-4-5-13(10-16(12)22(24)25)18(23)20-14-6-7-15(19)17(11-14)28(26,27)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)