N-(4-bromanyl-3-methyl-phenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-[3-(2-thienylsulfonyl)propanoylamino]benzamide CAS Name: N-(4-bromo-3-methylphenyl)-4-[(1-oxo-3-thiophen-2-ylsulfonylpropyl)amino]benzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-[3-(2-thienylsulfonyl)propanoylamino]benzamide Formula: C21H19BrN2O4S2 MolecularWeight: 507.42056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CS3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CS3)Br

InChI

InChI=1S/C21H19BrN2O4S2/c1-14-13-17(8-9-18(14)22)24-21(26)15-4-6-16(7-5-15)23-19(25)10-12-30(27,28)20-3-2-11-29-20/h2-9,11,13H,10,12H2,1H3,(H,23,25)(H,24,26)