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

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-3-piperidin-1-ylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[4-(2-methylpropanoylamino)phenyl]-3-(1-piperidylsulfonyl)thiophene-2-carboxamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-(1-piperidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-[4-(2-methylpropanoylamino)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide Traditional Name: N-[4-(isobutyrylamino)phenyl]-3-piperidinosulfonyl-thiophene-2-carboxamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S2/c1-14(2)19(24)21-15-6-8-16(9-7-15)22-20(25)18-17(10-13-28-18)29(26,27)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,24)(H,22,25)