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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S3/c1-31(26,27)17-9-10-18-19(14-17)30-21(22-18)23-20(25)11-6-15-4-7-16(8-5-15)32(28,29)24-12-2-3-13-24/h4-5,7-10,14H,2-3,6,11-13H2,1H3,(H,22,23,25)