N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide CAS Name: 1-(2-methyl-1-oxopropyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide Traditional Name: 1-isobutyryl-N-(2-methyl-5-piperidinosulfonyl-phenyl)isonipecotamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C22H33N3O4S/c1-16(2)22(27)24-13-9-18(10-14-24)21(26)23-20-15-19(8-7-17(20)3)30(28,29)25-11-5-4-6-12-25/h7-8,15-16,18H,4-6,9-14H2,1-3H3,(H,23,26)