N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H30N3O4S2+ MolecularWeight: 464.6213

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](C[NH+]2CCOCC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H29N3O4S2/c26-22(19-8-10-25(11-9-19)31(27,28)21-7-4-16-30-21)23-20(18-5-2-1-3-6-18)17-24-12-14-29-15-13-24/h1-7,16,19-20H,8-15,17H2,(H,23,26)/p+1/t20-/m0/s1