(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-morpholinosulfonylphenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[3-(4-morpholinylsulfonyl)phenyl]-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-morpholinosulfonylphenyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H31N4O4S2+ MolecularWeight: 479.63594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C22H30N4O4S2/c1-18(25-8-6-24(7-9-25)16-19-5-14-31-17-19)22(27)23-20-3-2-4-21(15-20)32(28,29)26-10-12-30-13-11-26/h2-5,14-15,17-18H,6-13,16H2,1H3,(H,23,27)/p+1/t18-/m1/s1