N-[4-(3-methylbutanoylamino)phenyl]-3-piperidin-1-ylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-3-piperidin-1-ylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-3-(1-piperidylsulfonyl)thiophene-2-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-3-(1-piperidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-3-piperidinosulfonyl-thiophene-2-carboxamide 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)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-15(2)14-19(25)22-16-6-8-17(9-7-16)23-21(26)20-18(10-13-29-20)30(27,28)24-11-4-3-5-12-24/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H,22,25)(H,23,26)