N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-3-(2-nitroanilino)propanamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(2-nitroanilino)propanamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-3-(2-nitroanilino)propionamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H24N4O6S/c1-15-6-7-16(14-19(15)31(28,29)23-10-12-30-13-11-23)22-20(25)8-9-21-17-4-2-3-5-18(17)24(26)27/h2-7,14,21H,8-13H2,1H3,(H,22,25)