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

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-1-ethyl-benzotriazole-5-carboxamide Formula: C20H22ClN5O3S MolecularWeight: 447.93838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O3S/c1-2-26-18-9-6-14(12-17(18)23-24-26)20(27)22-15-7-8-16(21)19(13-15)30(28,29)25-10-4-3-5-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,22,27)