3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)propanamide

Systemtic Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)propanamide Openeye Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-furylmethylcarbamoyl)propanamide CAS Name: 3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(2-furanylmethylamino)-oxomethyl]propanamide IUPAC Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)propanamide Traditional Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-N-(2-furfurylcarbamoyl)propionamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C21H28N4O5S/c1-16-5-6-19(14-17(16)2)31(28,29)25-11-9-24(10-12-25)8-7-20(26)23-21(27)22-15-18-4-3-13-30-18/h3-6,13-14H,7-12,15H2,1-2H3,(H2,22,23,26,27)