2-azanyl-5-[4-(diethylamino)but-2-ynyl]-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid

Systemtic Name: 2-azanyl-5-[4-(diethylamino)but-2-ynyl]-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid Openeye Name: 2-amino-5-[4-(diethylamino)but-2-ynyl]-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid CAS Name: 2-amino-5-[4-(diethylamino)but-2-ynyl]-4-(4-methoxyphenyl)sulfonyl-3-methylbenzoic acid IUPAC Name: 2-amino-5-[4-(diethylamino)but-2-ynyl]-4-(4-methoxyphenyl)sulfonyl-3-methylbenzoic acid Traditional Name: 2-amino-5-[4-(diethylamino)but-2-ynyl]-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCC1=C(C(=C(C(=C1)C(=O)O)N)C)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCN(CC)CC#CCC1=C(C(=C(C(=C1)C(=O)O)N)C)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C23H28N2O5S/c1-5-25(6-2)14-8-7-9-17-15-20(23(26)27)21(24)16(3)22(17)31(28,29)19-12-10-18(30-4)11-13-19/h10-13,15H,5-6,9,14,24H2,1-4H3,(H,26,27)