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

Systemtic Name: 3-(aminocarbonylamino)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-phenyl-propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-phenyl-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-phenylpropanamide IUPAC Name: 3-(carbamoylamino)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-phenylpropanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-phenyl-3-ureido-propionamide Formula: C19H23N5O6S MolecularWeight: 449.48082

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC(C2=CC=CC=C2)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC(C2=CC=CC=C2)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O6S/c1-31(29,30)14-7-8-15(17(11-14)24(27)28)21-9-10-22-18(25)12-16(23-19(20)26)13-5-3-2-4-6-13/h2-8,11,16,21H,9-10,12H2,1H3,(H,22,25)(H3,20,23,26)