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

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-iodo-4-methylphenyl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-iodo-4-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-3-pyrrolidinosulfonyl-benzamide Formula: C18H19IN2O3S MolecularWeight: 470.32453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19IN2O3S/c1-13-7-8-15(12-17(13)19)20-18(22)14-5-4-6-16(11-14)25(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)