3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-3-(4-benzylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-3-(4-benzylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-2-11-22-28(26,27)20-10-6-9-19(16-20)21(25)24-14-12-23(13-15-24)17-18-7-4-3-5-8-18/h2-10,16,22H,1,11-15,17H2/p+1