(1-ethylsulfonyl-6-phenylmethoxy-indol-3-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone

Systemtic Name: (1-ethylsulfonyl-6-phenylmethoxy-indol-3-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone Openeye Name: (6-benzyloxy-1-ethylsulfonyl-indol-3-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone CAS Name: (1-ethylsulfonyl-6-phenylmethoxy-3-indolyl)-[2-(3-pyridinyl)-4-isothiazolidinyl]methanone IUPAC Name: (1-ethylsulfonyl-6-phenylmethoxyindol-3-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone Traditional Name: (6-benzoxy-1-esyl-indol-3-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)C4CN(SC4)C5=CN=CC=C5

Isomeric SMILES

CCS(=O)(=O)N1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)C4CN(SC4)C5=CN=CC=C5

InChI

InChI=1S/C26H25N3O4S2/c1-2-35(31,32)29-16-24(26(30)20-15-28(34-18-20)21-9-6-12-27-14-21)23-11-10-22(13-25(23)29)33-17-19-7-4-3-5-8-19/h3-14,16,20H,2,15,17-18H2,1H3