N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H17Cl2NO4S MolecularWeight: 402.29218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)Cl)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2NO4S/c1-11(12-3-5-14(18)15(19)9-12)20-25(21,22)13-4-6-16-17(10-13)24-8-2-7-23-16/h3-6,9-11,20H,2,7-8H2,1H3/t11-/m0/s1