N-(2-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-(2-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-(2-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-benzyl-N-(2-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H29N3O4S/c1-27-15-17-28(18-16-27)26(30)22-11-8-12-23(19-22)34(31,32)29(20-21-9-4-3-5-10-21)24-13-6-7-14-25(24)33-2/h3-14,19H,15-18,20H2,1-2H3/p+1