2-[1-[(4-carbamimidoylphenyl)-(methylsulfonylamino)-piperidin-4-yl-methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-carbamimidoylphenyl)-(methylsulfonylamino)-piperidin-4-yl-methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-[(4-carbamimidoylphenyl)-(methanesulfonamido)-(4-piperidyl)methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-[(4-carbamimidoylphenyl)-(methanesulfonamido)-(4-piperidinyl)methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-[(4-carbamimidoylphenyl)-(methanesulfonamido)-piperidin-4-ylmethyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-[(4-amidinophenyl)-(methanesulfonamido)-(4-piperidyl)methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C20H29N5O5S MolecularWeight: 451.53976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(C1CCNCC1)(C2=CC=C(C=C2)C(=N)N)N3CCC(C3=O)CC(=O)O

Isomeric SMILES

CS(=O)(=O)NC(C1CCNCC1)(C2=CC=C(C=C2)C(=N)N)N3CCC(C3=O)CC(=O)O

InChI

InChI=1S/C20H29N5O5S/c1-31(29,30)24-20(16-6-9-23-10-7-16,15-4-2-13(3-5-15)18(21)22)25-11-8-14(19(25)28)12-17(26)27/h2-5,14,16,23-24H,6-12H2,1H3,(H3,21,22)(H,26,27)