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

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-(2-methyl-5-methylsulfonyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-(2-methyl-5-methylsulfonyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-(2-methyl-5-methylsulfonylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-(5-mesyl-2-methyl-phenyl)isonipecotamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O4S/c1-14-7-8-16(29(2,26)27)13-18(14)22-20(25)15-9-11-24(12-10-15)21-23-17-5-3-4-6-19(17)28-21/h3-8,13,15H,9-12H2,1-2H3,(H,22,25)