4-[[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]methyl]-N-butan-2-yl-benzamide

Systemtic Name: 4-[[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]methyl]-N-butan-2-yl-benzamide Openeye Name: 4-[(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)methyl]-N-sec-butyl-benzamide CAS Name: 4-[(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)methyl]-N-butan-2-ylbenzamide IUPAC Name: 4-[(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)methyl]-N-butan-2-ylbenzamide Traditional Name: 4-[(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)methyl]-N-sec-butyl-benzamide Formula: C26H29BrN2O4S MolecularWeight: 545.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCC(C)NC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C26H29BrN2O4S/c1-5-19(3)28-26(30)21-10-8-20(9-11-21)17-29(22-12-6-18(2)7-13-22)34(31,32)23-14-15-25(33-4)24(27)16-23/h6-16,19H,5,17H2,1-4H3,(H,28,30)