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

Systemtic Name: 3-[[1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]propanamide Openeye Name: 3-[[1-[(3-carbamimidoylphenyl)methyl]-2-oxo-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]propanamide CAS Name: 3-[[1-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-pyrrolidinyl]-[(7-methoxy-2-naphthalenyl)sulfonyl]amino]propanamide IUPAC Name: 3-[[1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]propanamide Traditional Name: 3-[[1-(3-amidinobenzyl)-2-keto-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]propionamide Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H29N5O5S/c1-36-21-7-5-18-6-8-22(15-20(18)14-21)37(34,35)31(12-10-24(27)32)23-9-11-30(26(23)33)16-17-3-2-4-19(13-17)25(28)29/h2-8,13-15,23H,9-12,16H2,1H3,(H2,27,32)(H3,28,29)