4-(1,3-benzothiazol-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)butyramide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O4S2/c1-2-30-19-13-12-17(16-21(19)32(28,29)26-14-5-6-15-26)24-22(27)10-7-11-23-25-18-8-3-4-9-20(18)31-23/h3-4,8-9,12-13,16H,2,5-7,10-11,14-15H2,1H3,(H,24,27)