N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]thiophene-2-sulfonamide

Systemtic Name: N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]thiophene-2-sulfonamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]thiophene-2-sulfonamide CAS Name: N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-2-thiophenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]thiophene-2-sulfonamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]thiophene-2-sulfonamide Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H23N3O3S2/c22-17(8-9-19-26(23,24)18-7-4-14-25-18)21-12-10-20(11-13-21)15-16-5-2-1-3-6-16/h1-7,14,19H,8-13,15H2/p+1