2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O3S2/c1-24(15-21-23-18-9-2-3-10-19(18)29-21)14-20(26)22-16-7-6-8-17(13-16)30(27,28)25-11-4-5-12-25/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,22,26)