4-[[(3S)-3-[(6-azanyl-5-chloranyl-naphthalen-2-yl)sulfonyl-methyl-amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide

Systemtic Name: 4-[[(3S)-3-[(6-azanyl-5-chloranyl-naphthalen-2-yl)sulfonyl-methyl-amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Openeye Name: 4-[[(3S)-3-[(6-amino-5-chloro-2-naphthyl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine CAS Name: 4-[[(3S)-3-[(6-amino-5-chloro-2-naphthalenyl)sulfonyl-methylamino]-2-oxo-1-pyrrolidinyl]methyl]-2-thiophenecarboximidamide IUPAC Name: 4-[[(3S)-3-[(6-amino-5-chloronaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Traditional Name: 4-[[(3S)-3-[(6-amino-5-chloro-2-naphthyl)sulfonyl-methyl-amino]-2-keto-pyrrolidino]methyl]thiophene-2-carboxamidine Formula: C21H22ClN5O3S2 MolecularWeight: 492.01408

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1=O)CC2=CSC(=C2)C(=N)N)S(=O)(=O)C3=CC4=C(C=C3)C(=C(C=C4)N)Cl

Isomeric SMILES

CN([C@H]1CCN(C1=O)CC2=CSC(=C2)C(=N)N)S(=O)(=O)C3=CC4=C(C=C3)C(=C(C=C4)N)Cl

InChI

InChI=1S/C21H22ClN5O3S2/c1-26(17-6-7-27(21(17)28)10-12-8-18(20(24)25)31-11-12)32(29,30)14-3-4-15-13(9-14)2-5-16(23)19(15)22/h2-5,8-9,11,17H,6-7,10,23H2,1H3,(H3,24,25)/t17-/m0/s1