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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-bromo-4-methylphenyl)-2-chloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C18H18BrClN2O3S MolecularWeight: 457.76912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrClN2O3S/c1-12-4-7-17(15(19)10-12)21-18(23)14-11-13(5-6-16(14)20)26(24,25)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)