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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)propionamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O4S2/c1-2-29-18-10-9-16(15-20(18)31(27,28)25-13-5-6-14-25)23-21(26)11-12-22-24-17-7-3-4-8-19(17)30-22/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,26)