(3-methylphenyl)methyl 3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: (3-methylphenyl)methyl 3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: m-tolylmethyl 3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: 3-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: 3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid (3-methylbenzyl) ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C(C(C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C(C(C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O7S/c1-16(2)22(23(27)33-15-18-6-4-5-17(3)13-18)24-20-8-7-19(14-21(20)26(28)29)34(30,31)25-9-11-32-12-10-25/h4-8,13-14,16,22,24H,9-12,15H2,1-3H3