1-ethyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-(2-methyl-5-piperidinosulfonyl-phenyl)benzotriazole-5-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C)N=N1

InChI

InChI=1S/C21H25N5O3S/c1-3-26-20-10-8-16(13-19(20)23-24-26)21(27)22-18-14-17(9-7-15(18)2)30(28,29)25-11-5-4-6-12-25/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,27)