4-(4-phenylmethoxycarbonylpiperazin-1-yl)benzenesulfinic acid

Systemtic Name: 4-(4-phenylmethoxycarbonylpiperazin-1-yl)benzenesulfinic acid Openeye Name: 4-(4-benzyloxycarbonylpiperazin-1-yl)benzenesulfinic acid CAS Name: 4-(4-phenylmethoxycarbonyl-1-piperazinyl)benzenesulfinic acid IUPAC Name: 4-(4-phenylmethoxycarbonylpiperazin-1-yl)benzenesulfinic acid Traditional Name: 4-(4-carbobenzoxypiperazino)benzenesulfinic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)S(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)S(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O4S/c21-18(24-14-15-4-2-1-3-5-15)20-12-10-19(11-13-20)16-6-8-17(9-7-16)25(22)23/h1-9H,10-14H2,(H,22,23)