2-[[(3S)-1-[(2-carbamimidoylpyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]ethanamide

Systemtic Name: 2-[[(3S)-1-[(2-carbamimidoylpyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]ethanamide Openeye Name: 2-[[(3S)-1-[(2-carbamimidoyl-4-pyridyl)methyl]-2-oxo-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]acetamide CAS Name: 2-[[(3S)-1-[(2-carbamimidoyl-4-pyridinyl)methyl]-2-oxo-3-pyrrolidinyl]-[(7-methoxy-2-naphthalenyl)sulfonyl]amino]acetamide IUPAC Name: 2-[[(3S)-1-[(2-carbamimidoylpyridin-4-yl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]acetamide Traditional Name: 2-[[(3S)-1-[(2-amidino-4-pyridyl)methyl]-2-keto-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]acetamide Formula: C24H26N6O5S MolecularWeight: 510.56544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC(=O)N)C3CCN(C3=O)CC4=CC(=NC=C4)C(=N)N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC(=O)N)[C@H]3CCN(C3=O)CC4=CC(=NC=C4)C(=N)N

InChI

InChI=1S/C24H26N6O5S/c1-35-18-4-2-16-3-5-19(12-17(16)11-18)36(33,34)30(14-22(25)31)21-7-9-29(24(21)32)13-15-6-8-28-20(10-15)23(26)27/h2-6,8,10-12,21H,7,9,13-14H2,1H3,(H2,25,31)(H3,26,27)/t21-/m0/s1