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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-15-4-10-18-19(14-15)28-21(22-18)23-20(25)11-7-16-5-8-17(9-6-16)29(26,27)24-12-2-3-13-24/h4-6,8-10,14H,2-3,7,11-13H2,1H3,(H,22,23,25)