2-[[(2S)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2S)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2S)-1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Formula: C19H25N4O4S2+ MolecularWeight: 437.5562

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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)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O4S2/c1-14(18(25)21-19-16(17(20)24)7-12-28-19)22-8-10-23(11-9-22)29(26,27)13-15-5-3-2-4-6-15/h2-7,12,14H,8-11,13H2,1H3,(H2,20,24)(H,21,25)/p+1/t14-/m0/s1