N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-3-(p-tolylsulfonylamino)-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-4-pyrrolidino-3-(tosylamino)benzamide Formula: C26H28BrN3O4S MolecularWeight: 558.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)NCC3=C(C=CC(=C3)Br)OC)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)NCC3=C(C=CC(=C3)Br)OC)N4CCCC4

InChI

InChI=1S/C26H28BrN3O4S/c1-18-5-9-22(10-6-18)35(32,33)29-23-16-19(7-11-24(23)30-13-3-4-14-30)26(31)28-17-20-15-21(27)8-12-25(20)34-2/h5-12,15-16,29H,3-4,13-14,17H2,1-2H3,(H,28,31)