4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(phenylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide

Systemtic Name: 4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(phenylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Openeye Name: 4-[[(3S)-3-[benzyl-[(7-methoxy-2-naphthyl)sulfonyl]amino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine CAS Name: 4-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonyl-(phenylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]-2-thiophenecarboximidamide IUPAC Name: 4-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Traditional Name: 4-[[(3S)-3-[benzyl-[(7-methoxy-2-naphthyl)sulfonyl]amino]-2-keto-pyrrolidino]methyl]thiophene-2-carboxamidine Formula: C28H28N4O4S2 MolecularWeight: 548.67632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4CCN(C4=O)CC5=CSC(=C5)C(=N)N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)[C@H]4CCN(C4=O)CC5=CSC(=C5)C(=N)N

InChI

InChI=1S/C28H28N4O4S2/c1-36-23-9-7-21-8-10-24(15-22(21)14-23)38(34,35)32(17-19-5-3-2-4-6-19)25-11-12-31(28(25)33)16-20-13-26(27(29)30)37-18-20/h2-10,13-15,18,25H,11-12,16-17H2,1H3,(H3,29,30)/t25-/m0/s1