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

Systemtic Name: 3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-morpholin-4-yl-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-morpholino-3-oxo-2-(p-tolylsulfonylamino)propyl]benzamidine CAS Name: 3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-(4-morpholinyl)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-morpholin-4-yl-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-keto-3-morpholino-2-(tosylamino)propyl]benzamidine Formula: C21H26N4O4S MolecularWeight: 430.52054

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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)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC(=C2)C(=N)N)C(=O)N3CCOCC3

InChI

InChI=1S/C21H26N4O4S/c1-15-5-7-18(8-6-15)30(27,28)24-19(21(26)25-9-11-29-12-10-25)14-16-3-2-4-17(13-16)20(22)23/h2-8,13,19,24H,9-12,14H2,1H3,(H3,22,23)/t19-/m0/s1