[2-(azepan-1-ylcarbonyl)phenyl]sulfonyl 2-azanyl-3-(4-nitrophenyl)propanoate

Systemtic Name: [2-(azepan-1-ylcarbonyl)phenyl]sulfonyl 2-azanyl-3-(4-nitrophenyl)propanoate Openeye Name: [2-(azepane-1-carbonyl)phenyl]sulfonyl 2-amino-3-(4-nitrophenyl)propanoate CAS Name: 2-amino-3-(4-nitrophenyl)propanoic acid [2-[1-azepanyl(oxo)methyl]phenyl]sulfonyl ester IUPAC Name: [2-(azepane-1-carbonyl)phenyl]sulfonyl 2-amino-3-(4-nitrophenyl)propanoate Traditional Name: 2-amino-3-(4-nitrophenyl)propionic acid [2-(azepane-1-carbonyl)phenyl]sulfonyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2S(=O)(=O)OC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2S(=O)(=O)OC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C22H25N3O7S/c23-19(15-16-9-11-17(12-10-16)25(28)29)22(27)32-33(30,31)20-8-4-3-7-18(20)21(26)24-13-5-1-2-6-14-24/h3-4,7-12,19H,1-2,5-6,13-15,23H2