N-[2-[ethyl-(3-methylphenyl)amino]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[ethyl-(3-methylphenyl)amino]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(N-ethyl-3-methyl-anilino)ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(N-ethyl-3-methylanilino)ethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(N-ethyl-3-methylanilino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(N-ethyl-3-methyl-anilino)ethyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2)C3=CC=CC(=C3)C

InChI

InChI=1S/C21H29N3O3S2/c1-3-23(19-7-4-6-17(2)16-19)14-11-22-21(25)18-9-12-24(13-10-18)29(26,27)20-8-5-15-28-20/h4-8,15-16,18H,3,9-14H2,1-2H3,(H,22,25)