N-[4-(3-methylbutanoylamino)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O4S2/c1-15(2)14-19(25)22-17-5-7-18(8-6-17)23-21(26)16-9-11-24(12-10-16)30(27,28)20-4-3-13-29-20/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)