(2S)-N-(3,4-dimethoxyphenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-propanamide

Systemtic Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-propanamide Openeye Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propanamide CAS Name: (2S)-N-(3,4-dimethoxyphenyl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]propanamide IUPAC Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide Traditional Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propionamide Formula: C21H25N5O7S MolecularWeight: 491.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)ON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)ON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2

InChI

InChI=1S/C21H25N5O7S/c1-14(21(27)22-15-4-7-19(30-2)20(12-15)31-3)33-26-18-13-16(5-6-17(18)23-24-26)34(28,29)25-8-10-32-11-9-25/h4-7,12-14H,8-11H2,1-3H3,(H,22,27)/t14-/m0/s1