4-azanyl-3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide dihydrochloride

Systemtic Name: 4-azanyl-3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide dihydrochloride Openeye Name: 4-amino-3-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine dihydrochloride CAS Name: 4-amino-3-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide dihydrochloride IUPAC Name: 4-amino-3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide dihydrochloride Traditional Name: 4-amino-3-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonylamino]pyrrolidino]methyl]benzamidine dihydrochloride Formula: C23H27Cl2N5O4S MolecularWeight: 540.46258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NC3CCN(C3=O)CC4=C(C=CC(=C4)C(=N)N)N.Cl.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=C(C=CC(=C4)C(=N)N)N.Cl.Cl

InChI

InChI=1S/C23H25N5O4S.2ClH/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)27-21-8-9-28(23(21)29)13-17-10-15(22(25)26)4-7-20(17)24;;/h2-7,10-12,21,27H,8-9,13,24H2,1H3,(H3,25,26);2*1H/t21-;;/m0../s1