N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O4S/c1-15(16-3-5-17(6-4-16)23-10-9-21-14-23)22-28(24,25)18-7-8-19-20(13-18)27-12-2-11-26-19/h3-10,13-15,22H,2,11-12H2,1H3/t15-/m1/s1