ethyl (2R)-3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoate

Systemtic Name: ethyl (2R)-3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoate Openeye Name: ethyl (2R)-3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoate CAS Name: (2R)-3-cyclopentyl-2-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoate Traditional Name: (2R)-3-cyclopentyl-2-[4-(4-methylpiperazino)sulfonylphenyl]propionic acid ethyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CCCC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)[C@H](CC1CCCC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H32N2O4S/c1-3-27-21(24)20(16-17-6-4-5-7-17)18-8-10-19(11-9-18)28(25,26)23-14-12-22(2)13-15-23/h8-11,17,20H,3-7,12-16H2,1-2H3/t20-/m1/s1