N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-(phenylsulfonyl)piperazine-1-carboxamide

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]piperazine-1-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-1-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide Traditional Name: 4-besyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]piperazine-1-carboxamide Formula: C21H29N4O4S2+ MolecularWeight: 465.60936

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H28N4O4S2/c26-21(22-17-19(20-7-4-16-30-20)23-12-14-29-15-13-23)24-8-10-25(11-9-24)31(27,28)18-5-2-1-3-6-18/h1-7,16,19H,8-15,17H2,(H,22,26)/p+1/t19-/m0/s1