N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-(1-sec-butylbenzotriazol-5-yl)sulfonyl-amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-butan-2-yl-5-benzotriazolyl)sulfonyl-methylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]acetamide Traditional Name: 2-[methyl-(1-sec-butylbenzotriazol-5-yl)sulfonyl-amino]-N-piperonyl-acetamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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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=CC4=C(C=C3)OCO4)N=N1

Isomeric SMILES

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)NCC3=CC4=C(C=C3)OCO4)N=N1

InChI

InChI=1S/C21H25N5O5S/c1-4-14(2)26-18-7-6-16(10-17(18)23-24-26)32(28,29)25(3)12-21(27)22-11-15-5-8-19-20(9-15)31-13-30-19/h5-10,14H,4,11-13H2,1-3H3,(H,22,27)