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

Systemtic Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]-N-ethyl-ethanamide Openeye Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]-N-ethyl-acetamide CAS Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-pyrrolidinyl]-[(7-methoxy-2-naphthalenyl)sulfonyl]amino]-N-ethylacetamide IUPAC Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]-N-ethylacetamide Traditional Name: 2-[[(3S)-1-(3-amidinobenzyl)-2-keto-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]-N-ethyl-acetamide Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(C1CCN(C1=O)CC2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC4=C(C=CC(=C4)OC)C=C3

Isomeric SMILES

CCNC(=O)CN([C@H]1CCN(C1=O)CC2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC4=C(C=CC(=C4)OC)C=C3

InChI

InChI=1S/C27H31N5O5S/c1-3-30-25(33)17-32(38(35,36)23-10-8-19-7-9-22(37-2)14-21(19)15-23)24-11-12-31(27(24)34)16-18-5-4-6-20(13-18)26(28)29/h4-10,13-15,24H,3,11-12,16-17H2,1-2H3,(H3,28,29)(H,30,33)/t24-/m0/s1