(2S)-2-[[4-(4-aminophenyl)sulfonylphenyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[4-(4-aminophenyl)sulfonylphenyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[4-(4-aminophenyl)sulfonylanilino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[4-(4-aminophenyl)sulfonylanilino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[4-(4-aminophenyl)sulfonylanilino]-4-methylpentanoic acid Traditional Name: (2S)-4-methyl-2-(4-sulfanilylanilino)valeric acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C18H22N2O4S/c1-12(2)11-17(18(21)22)20-14-5-9-16(10-6-14)25(23,24)15-7-3-13(19)4-8-15/h3-10,12,17,20H,11,19H2,1-2H3,(H,21,22)/t17-/m0/s1