4-[[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]methyl]-N-cyclopentyl-benzamide

Systemtic Name: 4-[[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]methyl]-N-cyclopentyl-benzamide Openeye Name: 4-[(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)methyl]-N-cyclopentyl-benzamide CAS Name: 4-[(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)methyl]-N-cyclopentylbenzamide IUPAC Name: 4-[(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)methyl]-N-cyclopentylbenzamide Traditional Name: 4-[(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)methyl]-N-cyclopentyl-benzamide Formula: C27H29BrN2O4S MolecularWeight: 557.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3CCCC3)S(=O)(=O)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3CCCC3)S(=O)(=O)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C27H29BrN2O4S/c1-19-7-13-23(14-8-19)30(35(32,33)24-15-16-26(34-2)25(28)17-24)18-20-9-11-21(12-10-20)27(31)29-22-5-3-4-6-22/h7-17,22H,3-6,18H2,1-2H3,(H,29,31)