N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-1-ethyl-benzotriazole-5-carboxamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S/c1-3-27-19-10-8-16(14-18(19)24-25-27)22(28)23-17-9-11-20(31-4-2)21(15-17)32(29,30)26-12-6-5-7-13-26/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,23,28)