(2S)-N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(phenylsulfonyl)piperidine-2-carboxamide

Systemtic Name: (2S)-N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(phenylsulfonyl)piperidine-2-carboxamide Openeye Name: (2S)-1-(benzenesulfonyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)piperidine-2-carboxamide CAS Name: (2S)-1-(benzenesulfonyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-piperidinecarboxamide IUPAC Name: (2S)-1-(benzenesulfonyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide Traditional Name: (2S)-1-besyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pipecolinamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O4S2/c22-19(25)18-15-10-4-5-12-17(15)29-21(18)23-20(26)16-11-6-7-13-24(16)30(27,28)14-8-2-1-3-9-14/h1-3,8-9,16H,4-7,10-13H2,(H2,22,25)(H,23,26)/t16-/m0/s1