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

Systemtic Name: 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methyl-amino]-N-(2-dimethylaminoethyl)ethanamide Openeye Name: N-(2-dimethylaminoethyl)-2-[methyl-(1-sec-butylbenzotriazol-5-yl)sulfonyl-amino]acetamide CAS Name: 2-[(1-butan-2-yl-5-benzotriazolyl)sulfonyl-methylamino]-N-(2-dimethylaminoethyl)acetamide IUPAC Name: 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-(2-dimethylaminoethyl)acetamide Traditional Name: N-(2-dimethylaminoethyl)-2-[methyl-(1-sec-butylbenzotriazol-5-yl)sulfonyl-amino]acetamide Formula: C17H28N6O3S MolecularWeight: 396.50762

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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)NCCN(C)C)N=N1

Isomeric SMILES

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

InChI

InChI=1S/C17H28N6O3S/c1-6-13(2)23-16-8-7-14(11-15(16)19-20-23)27(25,26)22(5)12-17(24)18-9-10-21(3)4/h7-8,11,13H,6,9-10,12H2,1-5H3,(H,18,24)