N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N-[3-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: N-[3-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-18-7-5-6-8-19(18)17-23-13-15-24(16-14-23)21(25)11-12-22-28(26,27)20-9-3-2-4-10-20/h2-10,22H,11-17H2,1H3/p+1