(2S,3S)-2,3-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: (2S,3S)-2,3-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: (2S,3S)-2,3-dimethyl-N-[3-(1-piperidylsulfonyl)phenyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: (2S,3S)-2,3-dimethyl-N-[3-(1-piperidinylsulfonyl)phenyl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: (2S,3S)-2,3-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: (2S,3S)-2,3-dimethyl-N-(3-piperidinosulfonylphenyl)coumaran-7-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

C[C@@H]1[C@@H](OC2=C(C=CC=C12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C22H26N2O4S/c1-15-16(2)28-21-19(15)10-7-11-20(21)22(25)23-17-8-6-9-18(14-17)29(26,27)24-12-4-3-5-13-24/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,23,25)/t15-,16+/m1/s1