N-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanesulfonamide

Systemtic Name: N-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanesulfonamide Openeye Name: N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]ethanesulfonamide CAS Name: N-[3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]ethanesulfonamide IUPAC Name: N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]ethanesulfonamide Traditional Name: N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]ethanesulfonamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-2-33(31,32)27-24-15-9-14-23(20-24)26(30)29-18-16-28(17-19-29)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,20,25,27H,2,16-19H2,1H3/p+1