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

Systemtic Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]ethanamide Openeye Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]acetamide CAS Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-pyrrolidinyl]-[(7-methoxy-2-naphthalenyl)sulfonyl]amino]acetamide IUPAC Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]acetamide Traditional Name: 2-[[(3S)-1-(3-amidinobenzyl)-2-keto-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]acetamide Formula: C25H27N5O5S MolecularWeight: 509.57738

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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=CC(=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=CC(=C4)C(=N)N

InChI

InChI=1S/C25H27N5O5S/c1-35-20-7-5-17-6-8-21(13-19(17)12-20)36(33,34)30(15-23(26)31)22-9-10-29(25(22)32)14-16-3-2-4-18(11-16)24(27)28/h2-8,11-13,22H,9-10,14-15H2,1H3,(H2,26,31)(H3,27,28)/t22-/m0/s1