N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)OC)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC=C2)OC)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23N3O5S/c1-24-10-9-22-21(24)20(15-5-3-6-16(13-15)27-2)23-30(25,26)17-7-8-18-19(14-17)29-12-4-11-28-18/h3,5-10,13-14,20,23H,4,11-12H2,1-2H3/t20-/m0/s1