4-[[(4-tert-butylphenyl)-[(3-methylsulfonylphenyl)carbamoyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide

Systemtic Name: 4-[[(4-tert-butylphenyl)-[(3-methylsulfonylphenyl)carbamoyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: 4-[[4-tert-butyl-N-[(3-methylsulfonylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide CAS Name: 4-[(4-tert-butyl-N-[(3-methylsulfonylanilino)-oxomethyl]anilino)methyl]-N-(2H-tetrazol-5-yl)benzamide IUPAC Name: 4-[[4-tert-butyl-N-[(3-methylsulfonylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide Traditional Name: 4-[[4-tert-butyl-N-[(3-mesylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide Formula: C27H29N7O4S MolecularWeight: 547.62866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=NNN=N3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=NNN=N3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C27H29N7O4S/c1-27(2,3)20-12-14-22(15-13-20)34(26(36)28-21-6-5-7-23(16-21)39(4,37)38)17-18-8-10-19(11-9-18)24(35)29-25-30-32-33-31-25/h5-16H,17H2,1-4H3,(H,28,36)(H2,29,30,31,32,33,35)