4-phenethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-phenethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-phenethyl-N-[(5-sulfamoyl-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-phenethyl-N-[(5-sulfamoyl-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-phenethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-phenethyl-N-[(5-sulfamoyl-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C18H25N4O3S2+ MolecularWeight: 409.5461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N

InChI

InChI=1S/C18H24N4O3S2/c19-27(24,25)17-7-6-16(26-17)14-20-18(23)22-12-10-21(11-13-22)9-8-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,20,23)(H2,19,24,25)/p+1