N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[[4-[isopropyl(methyl)carbamoyl]phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[[4-[[methyl(propan-2-yl)amino]-oxomethyl]phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-[isopropyl(methyl)carbamoyl]benzyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)C1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)N(C)C(=O)C1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O4S2/c1-16(2)24(3)22(27)18-10-8-17(9-11-18)14-23-21(26)19-6-4-12-25(15-19)31(28,29)20-7-5-13-30-20/h5,7-11,13,16,19H,4,6,12,14-15H2,1-3H3,(H,23,26)