2-bromanyl-N-(4-methyl-3-nitro-phenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-(4-methyl-3-nitro-phenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-(4-methyl-3-nitro-phenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-(4-methyl-3-nitrophenyl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-(4-methyl-3-nitrophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-(4-methyl-3-nitro-phenyl)-5-pyrrolidinosulfonyl-benzamide Formula: C18H18BrN3O5S MolecularWeight: 468.32162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O5S/c1-12-4-5-13(10-17(12)22(24)25)20-18(23)15-11-14(6-7-16(15)19)28(26,27)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)