1-[3-(butylsulfonylamino)-4-oxidanyl-but-1-en-2-yl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide

Systemtic Name: 1-[3-(butylsulfonylamino)-4-oxidanyl-but-1-en-2-yl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide Openeye Name: 1-[2-(butylsulfonylamino)-3-hydroxy-1-methylene-propyl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide CAS Name: 1-[3-(butylsulfonylamino)-4-hydroxybut-1-en-2-yl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide IUPAC Name: 1-[3-(butylsulfonylamino)-4-hydroxybut-1-en-2-yl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[1-[1-(butylsulfonylamino)-2-hydroxy-ethyl]vinyl]-3-pyrroline-2-carboxamide Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CO)C(=C)N1CC=CC1C(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCS(=O)(=O)NC(CO)C(=C)N1CC=CC1C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H31N5O4S/c1-3-4-12-31(29,30)25-18(14-27)15(2)26-11-5-6-19(26)21(28)24-13-16-7-9-17(10-8-16)20(22)23/h5-10,18-19,25,27H,2-4,11-14H2,1H3,(H3,22,23)(H,24,28)