N-[4-[2-(benzotriazol-1-yl)ethanoylamino]-2-chloranyl-phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[4-[2-(benzotriazol-1-yl)ethanoylamino]-2-chloranyl-phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[4-[[2-(benzotriazol-1-yl)acetyl]amino]-2-chloro-phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[4-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-2-chlorophenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[4-[[2-(benzotriazol-1-yl)acetyl]amino]-2-chlorophenyl]-3-methylsulfonylbenzamide Traditional Name: N-[4-[[2-(benzotriazol-1-yl)acetyl]amino]-2-chloro-phenyl]-3-mesyl-benzamide Formula: C22H18ClN5O4S MolecularWeight: 483.92742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CN3C4=CC=CC=C4N=N3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CN3C4=CC=CC=C4N=N3)Cl

InChI

InChI=1S/C22H18ClN5O4S/c1-33(31,32)16-6-4-5-14(11-16)22(30)25-18-10-9-15(12-17(18)23)24-21(29)13-28-20-8-3-2-7-19(20)26-27-28/h2-12H,13H2,1H3,(H,24,29)(H,25,30)