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

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propionamide Formula: C20H20N6O5S MolecularWeight: 456.475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O5S/c1-14(20(27)22-16-4-2-3-15(11-16)13-21)31-26-19-12-17(5-6-18(19)23-24-26)32(28,29)25-7-9-30-10-8-25/h2-6,11-12,14H,7-10H2,1H3,(H,22,27)/t14-/m0/s1