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

Systemtic Name: 4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(thiophen-3-ylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Openeye Name: 4-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonyl-(3-thienylmethyl)amino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine CAS Name: 4-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonyl-(3-thiophenylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]-2-thiophenecarboximidamide IUPAC Name: 4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(thiophen-3-ylmethyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Traditional Name: 4-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-(3-thenyl)amino]pyrrolidino]methyl]thiophene-2-carboxamidine Formula: C26H26N4O4S3 MolecularWeight: 554.70404

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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=CSC(=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=CSC(=C5)C(=N)N

InChI

InChI=1S/C26H26N4O4S3/c1-34-21-4-2-19-3-5-22(12-20(19)11-21)37(32,33)30(14-17-7-9-35-15-17)23-6-8-29(26(23)31)13-18-10-24(25(27)28)36-16-18/h2-5,7,9-12,15-16,23H,6,8,13-14H2,1H3,(H3,27,28)/t23-/m0/s1