N-cyclopropyl-4-methyl-3-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-4-methyl-3-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-4-methyl-3-(4-phenethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-cyclopropyl-4-methyl-3-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-4-methyl-3-(4-phenethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-cyclopropyl-4-methyl-3-(4-phenethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-18-7-10-21(30(28,29)24-20-8-9-20)17-22(18)23(27)26-15-13-25(14-16-26)12-11-19-5-3-2-4-6-19/h2-7,10,17,20,24H,8-9,11-16H2,1H3/p+1