4-azanyl-3-[[(3S)-3-[(4-tert-butylphenyl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 4-azanyl-3-[[(3S)-3-[(4-tert-butylphenyl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 4-amino-3-[[(3S)-3-[(4-tert-butylphenyl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 4-amino-3-[[(3S)-3-[(4-tert-butylphenyl)sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 4-amino-3-[[(3S)-3-[(4-tert-butylphenyl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 4-amino-3-[[(3S)-3-[(4-tert-butylphenyl)sulfonylamino]-2-keto-pyrrolidino]methyl]benzamidine Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2CCN(C2=O)CC3=C(C=CC(=C3)C(=N)N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCN(C2=O)CC3=C(C=CC(=C3)C(=N)N)N

InChI

InChI=1S/C22H29N5O3S/c1-22(2,3)16-5-7-17(8-6-16)31(29,30)26-19-10-11-27(21(19)28)13-15-12-14(20(24)25)4-9-18(15)23/h4-9,12,19,26H,10-11,13,23H2,1-3H3,(H3,24,25)/t19-/m0/s1