1-(1,3-benzoxazol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-(2-methyl-5-piperidinosulfonyl-phenyl)isonipecotamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H30N4O4S/c1-18-9-10-20(34(31,32)29-13-5-2-6-14-29)17-22(18)26-24(30)19-11-15-28(16-12-19)25-27-21-7-3-4-8-23(21)33-25/h3-4,7-10,17,19H,2,5-6,11-16H2,1H3,(H,26,30)