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

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)propionamide Formula: C22H26N4O4S2 MolecularWeight: 474.59624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(C)NC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C(C)NC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N4O4S2/c1-3-30-18-11-10-16(14-20(18)32(28,29)26-12-6-7-13-26)24-21(27)15(2)23-22-25-17-8-4-5-9-19(17)31-22/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,23,25)(H,24,27)