5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(phenylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide

Systemtic Name: 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(phenylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Openeye Name: 5-[[(3S)-3-[benzyl-[(7-methoxy-2-naphthyl)sulfonyl]amino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine CAS Name: 5-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonyl-(phenylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]-2-thiophenecarboximidamide IUPAC Name: 5-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Traditional Name: 5-[[(3S)-3-[benzyl-[(7-methoxy-2-naphthyl)sulfonyl]amino]-2-keto-pyrrolidino]methyl]thiophene-2-carboxamidine 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=CC=C3)C4CCN(C4=O)CC5=CC=C(S5)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=CC=C(S5)C(=N)N

InChI

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