1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-(furan-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-(furan-2-ylmethyl)-1,4-diazepane Openeye Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-(2-furylmethyl)-1,4-diazepane CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-(2-furanylmethyl)-1,4-diazepane IUPAC Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-(furan-2-ylmethyl)-1,4-diazepane Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-(2-furfuryl)-1,4-diazepane Formula: C18H23BrN2O3S MolecularWeight: 427.35582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C18H23BrN2O3S/c1-2-15-13-16(19)6-7-18(15)25(22,23)21-9-4-8-20(10-11-21)14-17-5-3-12-24-17/h3,5-7,12-13H,2,4,8-11,14H2,1H3