2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-[3-nitro-4-(phenylsulfonyl)phenyl]propanoate

Systemtic Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-[3-nitro-4-(phenylsulfonyl)phenyl]propanoate Openeye Name: 3-[4-(benzenesulfonyl)-3-nitro-phenyl]-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoate CAS Name: 3-[4-(benzenesulfonyl)-3-nitrophenyl]-2-[[[2-hydroxyethyl(phenethyl)amino]-oxomethyl]amino]propanoate IUPAC Name: 3-[4-(benzenesulfonyl)-3-nitrophenyl]-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoate Traditional Name: 3-(4-besyl-3-nitro-phenyl)-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propionate Formula: C26H26N3O8S- MolecularWeight: 540.56494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCO)C(=O)NC(CC2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCO)C(=O)NC(CC2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C26H27N3O8S/c30-16-15-28(14-13-19-7-3-1-4-8-19)26(33)27-22(25(31)32)17-20-11-12-24(23(18-20)29(34)35)38(36,37)21-9-5-2-6-10-21/h1-12,18,22,30H,13-17H2,(H,27,33)(H,31,32)/p-1