N-[(phenylmethyl)carbamoyl]-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(phenylmethyl)carbamoyl]-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(benzylcarbamoyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(benzylcarbamoyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H25N4O4S2+ MolecularWeight: 437.5562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H24N4O4S2/c24-17(21-19(25)20-15-16-5-2-1-3-6-16)8-9-22-10-12-23(13-11-22)29(26,27)18-7-4-14-28-18/h1-7,14H,8-13,15H2,(H2,20,21,24,25)/p+1