2-[[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-methyl-amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-methyl-amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-methyl-amino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[1-(2-methoxyethyl)-5-benzotriazolyl]sulfonyl-methylamino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-methyl-amino]-N-(3-pyridylmethyl)acetamide Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N(N=N3)CCOC

Isomeric SMILES

CN(CC(=O)NCC1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N(N=N3)CCOC

InChI

InChI=1S/C18H22N6O4S/c1-23(13-18(25)20-12-14-4-3-7-19-11-14)29(26,27)15-5-6-17-16(10-15)21-22-24(17)8-9-28-2/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,20,25)