2-ethoxy-5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-ethoxy-5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-ethoxy-5-(4-isopropylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2-ethoxy-5-[(4-propan-2-yl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2-ethoxy-5-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-ethoxy-5-(4-isopropylpiperazino)sulfonyl-benzoic acid Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C)C(=O)O

InChI

InChI=1S/C16H24N2O5S/c1-4-23-15-6-5-13(11-14(15)16(19)20)24(21,22)18-9-7-17(8-10-18)12(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,20)