N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C22H25N3O3S2/c1-15-13-16(2)21-19(14-15)29-22(24-21)23-20(26)10-7-17-5-8-18(9-6-17)30(27,28)25-11-3-4-12-25/h5-6,8-9,13-14H,3-4,7,10-12H2,1-2H3,(H,23,24,26)