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

Systemtic Name: (2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-pyrrolidinosulfonylphenyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H31N4O3S2+ MolecularWeight: 463.63654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C22H30N4O3S2/c1-18(25-13-11-24(12-14-25)16-19-8-15-30-17-19)22(27)23-20-4-6-21(7-5-20)31(28,29)26-9-2-3-10-26/h4-8,15,17-18H,2-3,9-14,16H2,1H3,(H,23,27)/p+1/t18-/m1/s1