(2S)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-[(2R)-4-phenylbutan-2-yl]propanamide

Systemtic Name: (2S)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-[(2R)-4-phenylbutan-2-yl]propanamide Openeye Name: (2S)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-[(1R)-1-methyl-3-phenyl-propyl]propanamide CAS Name: (2S)-2-[[6-(dimethylsulfamoyl)-1-benzotriazolyl]oxy]-N-[(2R)-4-phenylbutan-2-yl]propanamide IUPAC Name: (2S)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-[(2R)-4-phenylbutan-2-yl]propanamide Traditional Name: (2S)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-[(1R)-1-methyl-3-phenyl-propyl]propionamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)ON2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N=N2

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)ON2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N=N2

InChI

InChI=1S/C21H27N5O4S/c1-15(10-11-17-8-6-5-7-9-17)22-21(27)16(2)30-26-20-14-18(31(28,29)25(3)4)12-13-19(20)23-24-26/h5-9,12-16H,10-11H2,1-4H3,(H,22,27)/t15-,16+/m1/s1