N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]thiophene-2-sulfonamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]thiophene-2-sulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]thiophene-2-sulfonamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-2-thiophenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]thiophene-2-sulfonamide Traditional Name: N-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]thiophene-2-sulfonamide Formula: C19H24N3O5S2+ MolecularWeight: 438.54096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCNS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCNS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H23N3O5S2/c23-18(5-6-20-29(24,25)19-2-1-11-28-19)22-9-7-21(8-10-22)13-15-3-4-16-17(12-15)27-14-26-16/h1-4,11-12,20H,5-10,13-14H2/p+1