3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]benzenecarboximidamide

Systemtic Name: 3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-oxo-2-(p-tolylsulfonylamino)-3-pyrrolidin-1-yl-propyl]benzamidine CAS Name: 3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-(1-pyrrolidinyl)propyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-pyrrolidin-1-ylpropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-keto-3-pyrrolidino-2-(tosylamino)propyl]benzamidine Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C21H26N4O3S/c1-15-7-9-18(10-8-15)29(27,28)24-19(21(26)25-11-2-3-12-25)14-16-5-4-6-17(13-16)20(22)23/h4-10,13,19,24H,2-3,11-12,14H2,1H3,(H3,22,23)/t19-/m0/s1