3-(aminocarbonylamino)-3-(3-methylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-(aminocarbonylamino)-3-(3-methylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(m-tolyl)-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-3-(3-methylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(carbamoylamino)-3-(3-methylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(m-tolyl)-3-ureido-propionamide Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C20H25N5O6S/c1-13-4-3-5-14(10-13)17(24-20(21)27)12-19(26)23-9-8-22-16-7-6-15(32(2,30)31)11-18(16)25(28)29/h3-7,10-11,17,22H,8-9,12H2,1-2H3,(H,23,26)(H3,21,24,27)