6-chloranyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[(1S)-1-(4-mesylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H20ClNO5S/c1-12(13-4-6-15(7-5-13)27(2,23)24)21-19(22)14-10-16(20)18-17(11-14)25-8-3-9-26-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,22)/t12-/m0/s1