(2S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (2S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: (2S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2,3-dihydrobenzofuran-2-carboxamide CAS Name: (2S)-N-[3-(1-azepanylsulfonyl)phenyl]-5-chloro-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: (2S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: (2S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloro-coumaran-2-carboxamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)[C@@H]3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H23ClN2O4S/c22-16-8-9-19-15(12-16)13-20(28-19)21(25)23-17-6-5-7-18(14-17)29(26,27)24-10-3-1-2-4-11-24/h5-9,12,14,20H,1-4,10-11,13H2,(H,23,25)/t20-/m0/s1