N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(p-tolylsulfonyl)propanamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-tosyl-propionamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(C)[C@H](C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N2O3S2/c1-14-8-10-16(11-9-14)27(24,25)13-12-19(23)22(3)15(2)20-21-17-6-4-5-7-18(17)26-20/h4-11,15H,12-13H2,1-3H3/t15-/m1/s1