N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-1-ethyl-benzotriazole-5-carboxamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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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)N(C)C)N=N1

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O3S/c1-4-28-21-10-8-16(14-19(21)24-25-28)22(29)23-18-15-17(9-11-20(18)26(2)3)32(30,31)27-12-6-5-7-13-27/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,29)