3,4-dimethoxy-N-[2-(phenylsulfonylamino)ethylsulfonyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[2-(phenylsulfonylamino)ethylsulfonyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: N-[2-(benzenesulfonamido)ethylsulfonyl]-3,4-dimethoxy-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: N-[2-(benzenesulfonamido)ethylsulfonyl]-3,4-dimethoxy-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: N-[2-(benzenesulfonamido)ethylsulfonyl]-3,4-dimethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: N-[2-(benzenesulfonamido)ethylsulfonyl]-3,4-dimethoxy-N-(3-pyridylmethyl)benzenesulfonamide Formula: C22H25N3O8S3 MolecularWeight: 555.6442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)S(=O)(=O)CCNS(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)S(=O)(=O)CCNS(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H25N3O8S3/c1-32-21-11-10-20(15-22(21)33-2)36(30,31)25(17-18-7-6-12-23-16-18)34(26,27)14-13-24-35(28,29)19-8-4-3-5-9-19/h3-12,15-16,24H,13-14,17H2,1-2H3