2-oxidanylidene-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 2-oxidanylidene-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: 2-oxo-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-3H-1,3-benzoxazole-6-sulfonamide CAS Name: 2-oxo-N-[3-(4-phenyl-1-piperazin-1-iumyl)propyl]-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: 2-oxo-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-3H-1,3-benzoxazole-6-sulfonamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N4O4S/c25-20-22-18-8-7-17(15-19(18)28-20)29(26,27)21-9-4-10-23-11-13-24(14-12-23)16-5-2-1-3-6-16/h1-3,5-8,15,21H,4,9-14H2,(H,22,25)/p+1