4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(thiophen-3-ylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide

Systemtic Name: 4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(thiophen-3-ylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide Openeye Name: 4-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonyl-(3-thienylmethyl)amino]-2-oxo-pyrrolidin-1-yl]methyl]pyridine-2-carboxamidine CAS Name: 4-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonyl-(3-thiophenylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]-2-pyridinecarboximidamide IUPAC Name: 4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(thiophen-3-ylmethyl)amino]-2-oxopyrrolidin-1-yl]methyl]pyridine-2-carboximidamide Traditional Name: 4-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-(3-thenyl)amino]pyrrolidino]methyl]picolinamidine Formula: C27H27N5O4S2 MolecularWeight: 549.66438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O4S2/c1-36-22-4-2-20-3-5-23(14-21(20)13-22)38(34,35)32(16-19-8-11-37-17-19)25-7-10-31(27(25)33)15-18-6-9-30-24(12-18)26(28)29/h2-6,8-9,11-14,17,25H,7,10,15-16H2,1H3,(H3,28,29)/t25-/m0/s1