3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]pyrrolidino]methyl]benzamidine Formula: C27H28N6O4S MolecularWeight: 532.61402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=NN3)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=NN3)[C@H]4CCN(C4=O)CC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C27H28N6O4S/c1-37-23-7-5-19-6-8-24(15-21(19)14-23)38(35,36)33(17-22-9-11-30-31-22)25-10-12-32(27(25)34)16-18-3-2-4-20(13-18)26(28)29/h2-9,11,13-15,25H,10,12,16-17H2,1H3,(H3,28,29)(H,30,31)/t25-/m0/s1