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

Systemtic Name: 2-[[(3S)-1-[(4-carbamimidoylthiophen-2-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]ethanamide Openeye Name: 2-[[(3S)-1-[(4-carbamimidoyl-2-thienyl)methyl]-2-oxo-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]acetamide CAS Name: 2-[[(3S)-1-[(4-carbamimidoyl-2-thiophenyl)methyl]-2-oxo-3-pyrrolidinyl]-[(7-methoxy-2-naphthalenyl)sulfonyl]amino]acetamide IUPAC Name: 2-[[(3S)-1-[(4-carbamimidoylthiophen-2-yl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]acetamide Traditional Name: 2-[[(3S)-1-[(4-amidino-2-thienyl)methyl]-2-keto-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]acetamide Formula: C23H25N5O5S2 MolecularWeight: 515.6051

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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(=CS4)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(=CS4)C(=N)N

InChI

InChI=1S/C23H25N5O5S2/c1-33-17-4-2-14-3-5-19(10-15(14)8-17)35(31,32)28(12-21(24)29)20-6-7-27(23(20)30)11-18-9-16(13-34-18)22(25)26/h2-5,8-10,13,20H,6-7,11-12H2,1H3,(H2,24,29)(H3,25,26)/t20-/m0/s1