5-phenyl-2-[[3-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]pent-4-ynoic acid

Systemtic Name: 5-phenyl-2-[[3-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]pent-4-ynoic acid Openeye Name: 2-[[3-(benzenesulfonyl)-2-thienyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[[3-(benzenesulfonyl)-2-thiophenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[[3-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[(3-besyl-2-thienyl)sulfonylamino]-5-phenyl-pent-4-ynoic acid Formula: C21H17NO6S3 MolecularWeight: 475.55778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCC(C(=O)O)NS(=O)(=O)C2=C(C=CS2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CCC(C(=O)O)NS(=O)(=O)C2=C(C=CS2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17NO6S3/c23-20(24)18(13-7-10-16-8-3-1-4-9-16)22-31(27,28)21-19(14-15-29-21)30(25,26)17-11-5-2-6-12-17/h1-6,8-9,11-12,14-15,18,22H,13H2,(H,23,24)