N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-chloranylpyridin-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-chloranylpyridin-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-chloro-3-pyridyl)sulfonyl]piperidine-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-chloro-3-pyridinyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-chloropyridin-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-chloro-3-pyridyl)sulfonyl]isonipecotamide Formula: C24H21ClN4O4S MolecularWeight: 496.96594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)S(=O)(=O)C5=C(N=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)S(=O)(=O)C5=C(N=CC=C5)Cl

InChI

InChI=1S/C24H21ClN4O4S/c25-22-21(6-3-13-26-22)34(31,32)29-14-11-16(12-15-29)23(30)27-18-9-7-17(8-10-18)24-28-19-4-1-2-5-20(19)33-24/h1-10,13,16H,11-12,14-15H2,(H,27,30)