2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methyl-amino]-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methyl-amino]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[methyl-(1-sec-butylbenzotriazol-5-yl)sulfonyl-amino]-N-(2-pyridylmethyl)acetamide CAS Name: 2-[(1-butan-2-yl-5-benzotriazolyl)sulfonyl-methylamino]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[methyl-(1-sec-butylbenzotriazol-5-yl)sulfonyl-amino]-N-(2-pyridylmethyl)acetamide Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)NCC3=CC=CC=N3)N=N1

Isomeric SMILES

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)NCC3=CC=CC=N3)N=N1

InChI

InChI=1S/C19H24N6O3S/c1-4-14(2)25-18-9-8-16(11-17(18)22-23-25)29(27,28)24(3)13-19(26)21-12-15-7-5-6-10-20-15/h5-11,14H,4,12-13H2,1-3H3,(H,21,26)