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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-bromo-4-methylphenyl)-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-chloro-3-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=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

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

InChI

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