[(2R,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [(2R,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [(2R,3S)-2,3-dimethyl-2,3-dihydrobenzofuran-7-yl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [(2R,3S)-2,3-dimethyl-2,3-dihydrobenzofuran-7-yl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [(2R,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [(2R,3S)-2,3-dimethylcoumaran-7-yl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

C[C@@H]1[C@H](OC2=C(C=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C19H22N2O4S2/c1-13-14(2)25-18-15(13)5-3-6-16(18)19(22)20-8-10-21(11-9-20)27(23,24)17-7-4-12-26-17/h3-7,12-14H,8-11H2,1-2H3/t13-,14-/m1/s1