methyl 2-[(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-indan-5-ylsulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-indan-5-ylsulfonyl-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C16H20N2O5S/c1-23-15(19)10-14-16(20)17-7-8-18(14)24(21,22)13-6-5-11-3-2-4-12(11)9-13/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,17,20)/t14-/m1/s1