N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-1-(4-chlorophenyl)sulfonyl-isonipecotamide Formula: C21H23ClN6O3S MolecularWeight: 474.96372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C/C(=N\NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)/CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H23ClN6O3S/c1-15(14-28-20-5-3-2-4-19(20)24-26-28)23-25-21(29)16-10-12-27(13-11-16)32(30,31)18-8-6-17(22)7-9-18/h2-9,16H,10-14H2,1H3,(H,25,29)/b23-15+