(2S)-N-(2-methoxy-5-methyl-phenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-propanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propionamide Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)ON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)ON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2

InChI

InChI=1S/C21H25N5O6S/c1-14-4-7-20(30-3)18(12-14)22-21(27)15(2)32-26-19-13-16(5-6-17(19)23-24-26)33(28,29)25-8-10-31-11-9-25/h4-7,12-13,15H,8-11H2,1-3H3,(H,22,27)/t15-/m0/s1