N-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-sulfonamide

Systemtic Name: N-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-sulfonamide Openeye Name: N-[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-sulfonamide CAS Name: N-[4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-sulfonamide Traditional Name: N-[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-sulfonamide Formula: C28H28N3O3S2+ MolecularWeight: 518.67022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C28H27N3O3S2/c32-28(24-13-15-25(16-14-24)29-36(33,34)26-12-7-21-35-26)31-19-17-30(18-20-31)27(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-16,21,27,29H,17-20H2/p+1