N-(4-acetamido-3-methyl-phenyl)-2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-2-bromo-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-acetamido-3-methylphenyl)-2-bromo-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-2-bromo-5-pyrrolidinosulfonyl-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-13-11-15(5-8-19(13)22-14(2)25)23-20(26)17-12-16(6-7-18(17)21)29(27,28)24-9-3-4-10-24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,26)