2-[[(2R)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Formula: C20H27N4O6S2+ MolecularWeight: 483.58158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H26N4O6S2/c1-13(19(26)22-20-15(18(21)25)6-11-31-20)23-7-9-24(10-8-23)32(27,28)14-4-5-16(29-2)17(12-14)30-3/h4-6,11-13H,7-10H2,1-3H3,(H2,21,25)(H,22,26)/p+1/t13-/m1/s1