2-[(2-azanyl-2-thiophen-2-yl-ethanoyl)-(4-methylphenyl)sulfonyl-amino]-4-[(4-nitrophenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(2-azanyl-2-thiophen-2-yl-ethanoyl)-(4-methylphenyl)sulfonyl-amino]-4-[(4-nitrophenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[[2-amino-2-(2-thienyl)acetyl]-(p-tolylsulfonyl)amino]-4-[(4-nitrophenyl)methylamino]-4-oxo-butanoic acid CAS Name: 2-[(2-amino-1-oxo-2-thiophen-2-ylethyl)-(4-methylphenyl)sulfonylamino]-4-[(4-nitrophenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 2-[(2-amino-2-thiophen-2-ylacetyl)-(4-methylphenyl)sulfonylamino]-4-[(4-nitrophenyl)methylamino]-4-oxobutanoic acid Traditional Name: 2-[[2-amino-2-(2-thienyl)acetyl]-tosyl-amino]-4-keto-4-[(4-nitrobenzyl)amino]butyric acid Formula: C24H24N4O8S2 MolecularWeight: 560.59936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)C(C3=CC=CS3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)C(C3=CC=CS3)N

InChI

InChI=1S/C24H24N4O8S2/c1-15-4-10-18(11-5-15)38(35,36)27(23(30)22(25)20-3-2-12-37-20)19(24(31)32)13-21(29)26-14-16-6-8-17(9-7-16)28(33)34/h2-12,19,22H,13-14,25H2,1H3,(H,26,29)(H,31,32)