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

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(2-methylpropanoylamino)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(2-methylpropanoylamino)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(isobutyrylamino)phenyl]-1-(2-thienylsulfonyl)isonipecotamide 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)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S2/c1-14(2)19(24)21-16-5-7-17(8-6-16)22-20(25)15-9-11-23(12-10-15)29(26,27)18-4-3-13-28-18/h3-8,13-15H,9-12H2,1-2H3,(H,21,24)(H,22,25)