ethyl 3-[3-[(3-nitrophenyl)sulfonylamino]phenyl]-3-(2-phenylbutanoylamino)propanoate

Systemtic Name: ethyl 3-[3-[(3-nitrophenyl)sulfonylamino]phenyl]-3-(2-phenylbutanoylamino)propanoate Openeye Name: ethyl 3-[3-[(3-nitrophenyl)sulfonylamino]phenyl]-3-(2-phenylbutanoylamino)propanoate CAS Name: 3-[3-[(3-nitrophenyl)sulfonylamino]phenyl]-3-[(1-oxo-2-phenylbutyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(3-nitrophenyl)sulfonylamino]phenyl]-3-(2-phenylbutanoylamino)propanoate Traditional Name: 3-[3-[(3-nitrophenyl)sulfonylamino]phenyl]-3-(2-phenylbutanoylamino)propionic acid ethyl ester Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC(CC(=O)OCC)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC(CC(=O)OCC)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O7S/c1-3-24(19-10-6-5-7-11-19)27(32)28-25(18-26(31)37-4-2)20-12-8-13-21(16-20)29-38(35,36)23-15-9-14-22(17-23)30(33)34/h5-17,24-25,29H,3-4,18H2,1-2H3,(H,28,32)