N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-oxothiazolidin-3-yl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(2-oxo-3-thiazolidinyl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-ketothiazolidin-3-yl)propionamide Formula: C19H27N3O5S2 MolecularWeight: 441.56478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCN3CCSC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCN3CCSC3=O

InChI

InChI=1S/C19H27N3O5S2/c1-27-17-7-6-15(29(25,26)22-9-4-2-3-5-10-22)14-16(17)20-18(23)8-11-21-12-13-28-19(21)24/h6-7,14H,2-5,8-13H2,1H3,(H,20,23)