N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-acetamide CAS Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide Traditional Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-acetamide Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)C

InChI

InChI=1S/C22H27N5O5S/c1-15-4-5-18(12-16(15)2)17(3)23-22(28)14-32-27-21-13-19(6-7-20(21)24-25-27)33(29,30)26-8-10-31-11-9-26/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,23,28)/t17-/m0/s1