3-[[1-(4-chlorophenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(4-chlorophenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-chlorobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-chlorophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-chlorobenzoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(4-chlorobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C24H21ClN4O8S2 MolecularWeight: 593.02854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=C(C=C2)Cl)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC=C(C=C2)Cl)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H21ClN4O8S2/c25-17-8-6-15(7-9-17)24(33)27-10-11-28(39(36,37)21-5-2-12-38-21)23(27)22(32)26-19(14-20(30)31)16-3-1-4-18(13-16)29(34)35/h1-9,12-13,19,23H,10-11,14H2,(H,26,32)(H,30,31)