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

Systemtic Name: 4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-3-piperidin-1-yl-propyl]benzenecarboximidamide Openeye Name: 4-[(2S)-3-oxo-3-(1-piperidyl)-2-(p-tolylsulfonylamino)propyl]benzamidine CAS Name: 4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-(1-piperidinyl)propyl]benzenecarboximidamide IUPAC Name: 4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide Traditional Name: 4-[(2S)-3-keto-3-piperidino-2-(tosylamino)propyl]benzamidine Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCCC3

InChI

InChI=1S/C22H28N4O3S/c1-16-5-11-19(12-6-16)30(28,29)25-20(22(27)26-13-3-2-4-14-26)15-17-7-9-18(10-8-17)21(23)24/h5-12,20,25H,2-4,13-15H2,1H3,(H3,23,24)/t20-/m0/s1