(4-nitrophenyl)methyl 2-[2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]-4-oxidanylidene-azetidin-1-yl]pent-4-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]-4-oxidanylidene-azetidin-1-yl]pent-4-enoate Openeye Name: (4-nitrophenyl)methyl 2-[2-[allyl(p-tolylsulfonyl)amino]-4-oxo-azetidin-1-yl]pent-4-enoate CAS Name: 2-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-4-oxo-1-azetidinyl]-4-pentenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-4-oxoazetidin-1-yl]pent-4-enoate Traditional Name: 2-[2-[allyl(tosyl)amino]-4-keto-azetidin-1-yl]pent-4-enoic acid (4-nitrobenzyl) ester Formula: C25H27N3O7S MolecularWeight: 513.56278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2CC(=O)N2C(CC=C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2CC(=O)N2C(CC=C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O7S/c1-4-6-22(25(30)35-17-19-9-11-20(12-10-19)28(31)32)27-23(16-24(27)29)26(15-5-2)36(33,34)21-13-7-18(3)8-14-21/h4-5,7-14,22-23H,1-2,6,15-17H2,3H3