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

Systemtic Name: 2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(1-isopropylbenzotriazol-5-yl)sulfonyl-methyl-amino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[methyl-[(1-propan-2-yl-5-benzotriazolyl)sulfonyl]amino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(1-isopropylbenzotriazol-5-yl)sulfonyl-methyl-amino]-N-(3-pyridylmethyl)acetamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)NCC3=CN=CC=C3)N=N1

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)NCC3=CN=CC=C3)N=N1

InChI

InChI=1S/C18H22N6O3S/c1-13(2)24-17-7-6-15(9-16(17)21-22-24)28(26,27)23(3)12-18(25)20-11-14-5-4-8-19-10-14/h4-10,13H,11-12H2,1-3H3,(H,20,25)