N-(4-bromophenyl)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4-bromophenyl)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-bromophenyl)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-bromophenyl)-4-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-bromophenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-bromophenyl)-4-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19BrN2O3S/c1-13-4-5-14(18(22)20-16-8-6-15(19)7-9-16)12-17(13)25(23,24)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)