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

Systemtic Name: 4-[[(3S)-3-[(7-azanylnaphthalen-2-yl)sulfonyl-methyl-amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Openeye Name: 4-[[(3S)-3-[(7-amino-2-naphthyl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine CAS Name: 4-[[(3S)-3-[(7-amino-2-naphthalenyl)sulfonyl-methylamino]-2-oxo-1-pyrrolidinyl]methyl]-2-thiophenecarboximidamide IUPAC Name: 4-[[(3S)-3-[(7-aminonaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Traditional Name: 4-[[(3S)-3-[(7-amino-2-naphthyl)sulfonyl-methyl-amino]-2-keto-pyrrolidino]methyl]thiophene-2-carboxamidine Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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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=CC(=C4)N)C=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S2/c1-25(31(28,29)17-5-3-14-2-4-16(22)9-15(14)10-17)18-6-7-26(21(18)27)11-13-8-19(20(23)24)30-12-13/h2-5,8-10,12,18H,6-7,11,22H2,1H3,(H3,23,24)/t18-/m0/s1