5-[3-azanyl-3-(phenylsulfonylamino)-6-piperidin-4-yl-hexanoyl]oxycarbonylthiophene-2-sulfinic acid

Systemtic Name: 5-[3-azanyl-3-(phenylsulfonylamino)-6-piperidin-4-yl-hexanoyl]oxycarbonylthiophene-2-sulfinic acid Openeye Name: 5-[3-amino-3-(benzenesulfonamido)-6-(4-piperidyl)hexanoyl]oxycarbonylthiophene-2-sulfinic acid CAS Name: 5-[[3-amino-3-(benzenesulfonamido)-1-oxo-6-(4-piperidinyl)hexoxy]-oxomethyl]-2-thiophenesulfinic acid IUPAC Name: 5-[3-amino-3-(benzenesulfonamido)-6-piperidin-4-ylhexanoyl]oxycarbonylthiophene-2-sulfinic acid Traditional Name: 5-[3-amino-3-(benzenesulfonamido)-6-(4-piperidyl)hexanoyl]oxycarbonylthiophene-2-sulfinic acid Formula: C22H29N3O7S3 MolecularWeight: 543.67656

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCC(CC(=O)OC(=O)C2=CC=C(S2)S(=O)O)(N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCCC(CC(=O)OC(=O)C2=CC=C(S2)S(=O)O)(N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O7S3/c23-22(12-4-5-16-10-13-24-14-11-16,25-35(30,31)17-6-2-1-3-7-17)15-19(26)32-21(27)18-8-9-20(33-18)34(28)29/h1-3,6-9,16,24-25H,4-5,10-15,23H2,(H,28,29)