N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(4-morpholinosulfonylphenyl)methanamine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-[4-(4-morpholinylsulfonyl)phenyl]methanamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-morpholinosulfonylbenzyl)amine Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C21H25ClN2O5S/c22-19-12-17(13-20-21(19)29-9-1-8-28-20)15-23-14-16-2-4-18(5-3-16)30(25,26)24-6-10-27-11-7-24/h2-5,12-13,23H,1,6-11,14-15H2