4-[[(3S)-3-[(6-azanylnaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide dihydrochloride

Systemtic Name: 4-[[(3S)-3-[(6-azanylnaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide dihydrochloride Openeye Name: 4-[[(3S)-3-[(6-amino-2-naphthyl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine dihydrochloride CAS Name: 4-[[(3S)-3-[(6-amino-2-naphthalenyl)sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]-2-thiophenecarboximidamide dihydrochloride IUPAC Name: 4-[[(3S)-3-[(6-aminonaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide dihydrochloride Traditional Name: 4-[[(3S)-3-[(6-amino-2-naphthyl)sulfonylamino]-2-keto-pyrrolidino]methyl]thiophene-2-carboxamidine dihydrochloride Formula: C20H23Cl2N5O3S2 MolecularWeight: 516.46432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)N)CC4=CSC(=C4)C(=N)N.Cl.Cl

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)N)CC4=CSC(=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C20H21N5O3S2.2ClH/c21-15-3-1-14-9-16(4-2-13(14)8-15)30(27,28)24-17-5-6-25(20(17)26)10-12-7-18(19(22)23)29-11-12;;/h1-4,7-9,11,17,24H,5-6,10,21H2,(H3,22,23);2*1H/t17-;;/m0../s1