N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-15(20-22-18-10-3-4-11-19(18)28-20)23(2)21(25)16-8-7-9-17(14-16)29(26,27)24-12-5-6-13-24/h3-4,7-11,14-15H,5-6,12-13H2,1-2H3/t15-/m1/s1