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

Systemtic Name: 3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(pyridin-2-ylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonyl-(2-pyridylmethyl)amino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonyl-(2-pyridinylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(pyridin-2-ylmethyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-(2-pyridylmethyl)amino]pyrrolidino]methyl]benzamidine Formula: C29H29N5O4S MolecularWeight: 543.63666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=N3)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=CC=N3)[C@H]4CCN(C4=O)CC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C29H29N5O4S/c1-38-25-10-8-21-9-11-26(17-23(21)16-25)39(36,37)34(19-24-7-2-3-13-32-24)27-12-14-33(29(27)35)18-20-5-4-6-22(15-20)28(30)31/h2-11,13,15-17,27H,12,14,18-19H2,1H3,(H3,30,31)/t27-/m0/s1