3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonyl-(2-thienylmethyl)amino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(thiophen-2-ylmethyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-(2-thenyl)amino]pyrrolidino]methyl]benzamidine Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CS3)C4CCN(C4=O)CC5=CC=CC(=C5)C(=N)N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CS3)[C@H]4CCN(C4=O)CC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C28H28N4O4S2/c1-36-23-9-7-20-8-10-25(16-22(20)15-23)38(34,35)32(18-24-6-3-13-37-24)26-11-12-31(28(26)33)17-19-4-2-5-21(14-19)27(29)30/h2-10,13-16,26H,11-12,17-18H2,1H3,(H3,29,30)/t26-/m0/s1