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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-bromo-4-methylphenyl)-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C19H21BrN2O4S/c1-13-5-7-16(15(20)11-13)21-19(23)14-6-8-17(26-2)18(12-14)27(24,25)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)