N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-[(1R)-2-morpholino-1-(p-tolyl)ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholinyl)ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[(1R)-2-morpholino-1-(p-tolyl)ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C22H29N5O6S MolecularWeight: 491.56056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CN2CCOCC2)NC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O6S/c1-16-2-4-17(5-3-16)20(15-26-10-12-33-13-11-26)25-22(28)8-9-24-19-7-6-18(34(23,31)32)14-21(19)27(29)30/h2-7,14,20,24H,8-13,15H2,1H3,(H,25,28)(H2,23,31,32)/t20-/m0/s1